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Triacetin, 99%

CAS: 102-76-1 Molecular Formula: C₉H₁₄O₆ Molecular Weight (g/mol): 218.21 InChI Key: URAYPUMNDPQOKB-UHFFFAOYSA-N Synonym: triacetin,glyceryl triacetate,glycerol triacetate,glycerin triacetate,enzactin,triacetine,triacetylglycerol,fungacetin,glyped,triacetyl glycerine PubChem CID: 5541 ChEBI: CHEBI:9661 IUPAC Name: 2,3-diacetyloxypropyl acetate SMILES: CC(=O)OCC(COC(=O)C)OC(=O)C

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Glycerolipids

PubChem CID	5541
CAS	102-76-1
Molecular Weight (g/mol)	218.21
ChEBI	CHEBI:9661
SMILES	CC(=O)OCC(COC(=O)C)OC(=O)C
Synonym	triacetin,glyceryl triacetate,glycerol triacetate,glycerin triacetate,enzactin,triacetine,triacetylglycerol,fungacetin,glyped,triacetyl glycerine
IUPAC Name	2,3-diacetyloxypropyl acetate
InChI Key	URAYPUMNDPQOKB-UHFFFAOYSA-N
Molecular Formula	C₉H₁₄O₆

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Thermo Scientific Chemicals Linolenic acid, 99%

CAS: 463-40-1 Molecular Formula: C₁₈H₃₀O₂ Molecular Weight (g/mol): 278.44 MDL Number: MFCD00065720 InChI Key: DTOSIQBPPRVQHS-PDBXOOCHSA-N Synonym: linolenic acid,alpha-linolenic acid,linolenate,9z,12z,15z-octadeca-9,12,15-trienoic acid,a-linolenic acid,cis,cis,cis-9,12,15-octadecatrienoic acid,all-cis-9,12,15-octadecatrienoic acid,alpha-linolenate,9-cis,12-cis,15-cis-octadecatrienoic acid,z,z,z-9,12,15-octadecatrienoic acid PubChem CID: 5280934 ChEBI: CHEBI:27432 IUPAC Name: (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid SMILES: CCC=CCC=CCC=CCCCCCCCC(=O)O

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Specifications

Fatty acid conjugates

PubChem CID	5280934
CAS	463-40-1
Molecular Weight (g/mol)	278.44
ChEBI	CHEBI:27432
MDL Number	MFCD00065720
SMILES	CCC=CCC=CCC=CCCCCCCCC(=O)O
Synonym	linolenic acid,alpha-linolenic acid,linolenate,9z,12z,15z-octadeca-9,12,15-trienoic acid,a-linolenic acid,cis,cis,cis-9,12,15-octadecatrienoic acid,all-cis-9,12,15-octadecatrienoic acid,alpha-linolenate,9-cis,12-cis,15-cis-octadecatrienoic acid,z,z,z-9,12,15-octadecatrienoic acid
IUPAC Name	(9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid
InChI Key	DTOSIQBPPRVQHS-PDBXOOCHSA-N
Molecular Formula	C₁₈H₃₀O₂

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Fumaric acid, 99+%

CAS: 110-17-8 Molecular Formula: C4H4O4 Molecular Weight (g/mol): 116.07 MDL Number: MFCD00002700 InChI Key: VZCYOOQTPOCHFL-OWOJBTEDSA-N Synonym: fumaric acid,2-butenedioic acid,trans-butenedioic acid,allomaleic acid,boletic acid,lichenic acid,tumaric acid,2e-but-2-enedioic acid,butenedioic acid,trans-2-butenedioic acid PubChem CID: 444972 ChEBI: CHEBI:18012 SMILES: OC(=O)\C=C\C(O)=O

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Specifications

Fatty acid conjugates

PubChem CID	444972
CAS	110-17-8
Molecular Weight (g/mol)	116.07
ChEBI	CHEBI:18012
MDL Number	MFCD00002700
SMILES	OC(=O)\C=C\C(O)=O
Synonym	fumaric acid,2-butenedioic acid,trans-butenedioic acid,allomaleic acid,boletic acid,lichenic acid,tumaric acid,2e-but-2-enedioic acid,butenedioic acid,trans-2-butenedioic acid
InChI Key	VZCYOOQTPOCHFL-OWOJBTEDSA-N
Molecular Formula	C4H4O4

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Potassium sorbate, 99%

CAS: 24634-61-5 Molecular Formula: C₆H₇KO₂ Molecular Weight (g/mol): 150.22 InChI Key: CHHHXKFHOYLYRE-STWYSWDKSA-M Synonym: potassium sorbate,sorbistat-k,potassium 2,4-hexadienoate,sorbistat potassium,potassium e,e-sorbate,sorbic acid potassium salt,potassium 2e,4e-hexa-2,4-dienoate,bb powder,sorbistat-potassium,caswell no. 701c PubChem CID: 23676745 ChEBI: CHEBI:77868 IUPAC Name: potassium;(2E,4E)-hexa-2,4-dienoate SMILES: CC=CC=CC(=O)[O-].[K+]

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Specifications

Fatty acid conjugates

PubChem CID	23676745
CAS	24634-61-5
Molecular Weight (g/mol)	150.22
ChEBI	CHEBI:77868
SMILES	CC=CC=CC(=O)[O-].[K+]
Synonym	potassium sorbate,sorbistat-k,potassium 2,4-hexadienoate,sorbistat potassium,potassium e,e-sorbate,sorbic acid potassium salt,potassium 2e,4e-hexa-2,4-dienoate,bb powder,sorbistat-potassium,caswell no. 701c
IUPAC Name	potassium;(2E,4E)-hexa-2,4-dienoate
InChI Key	CHHHXKFHOYLYRE-STWYSWDKSA-M
Molecular Formula	C₆H₇KO₂

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1-Octanol, 99%, pure

CAS: 111-87-5 Molecular Formula: C8H18O Molecular Weight (g/mol): 130.23 MDL Number: MFCD00002988 InChI Key: KBPLFHHGFOOTCA-UHFFFAOYSA-N Synonym: 1-octanol,octanol,octyl alcohol,n-octanol,capryl alcohol,caprylic alcohol,n-octyl alcohol,heptyl carbinol,1-hydroxyoctane,primary octyl alcohol PubChem CID: 957 ChEBI: CHEBI:16188 IUPAC Name: octan-1-ol SMILES: CCCCCCCCO

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Specifications

Fatty alcohols

PubChem CID	957
CAS	111-87-5
Molecular Weight (g/mol)	130.23
ChEBI	CHEBI:16188
MDL Number	MFCD00002988
SMILES	CCCCCCCCO
Synonym	1-octanol,octanol,octyl alcohol,n-octanol,capryl alcohol,caprylic alcohol,n-octyl alcohol,heptyl carbinol,1-hydroxyoctane,primary octyl alcohol
IUPAC Name	octan-1-ol
InChI Key	KBPLFHHGFOOTCA-UHFFFAOYSA-N
Molecular Formula	C8H18O

Thermo Scientific Chemicals 2-Deoxy-D-glucose, 98%

CAS: 154-17-6 Molecular Formula: C6H12O5 Molecular Weight (g/mol): 164.16 MDL Number: MFCD00151328 InChI Key: PMMURAAUARKVCB-PHUJZJCSNA-N Synonym: deoxyglucose,2-deoxy-d-mannose,2-deoxy-d-arabinohexose,unii-9g2mp84a8w,d-arabino-hexose, 2-deoxy,arabino-hexose, 2-deoxy,d-glucose, 2-deoxy,3r,4s,5r-3,4,5,6-tetrahydroxyhexanal,2 deoxyglucose,2 deoxy d glucose PubChem CID: 17751002 IUPAC Name: (3S,4R,5S)-3,4,5,6-tetrahydroxyhexanal SMILES: OC[C@H]1OC(O)C[C@@H](O)[C@@H]1O

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Specifications

Fatty alcohols

PubChem CID	17751002
CAS	154-17-6
Molecular Weight (g/mol)	164.16
MDL Number	MFCD00151328
SMILES	OC[C@H]1OC(O)C[C@@H](O)[C@@H]1O
Synonym	deoxyglucose,2-deoxy-d-mannose,2-deoxy-d-arabinohexose,unii-9g2mp84a8w,d-arabino-hexose, 2-deoxy,arabino-hexose, 2-deoxy,d-glucose, 2-deoxy,3r,4s,5r-3,4,5,6-tetrahydroxyhexanal,2 deoxyglucose,2 deoxy d glucose
IUPAC Name	(3S,4R,5S)-3,4,5,6-tetrahydroxyhexanal
InChI Key	PMMURAAUARKVCB-PHUJZJCSNA-N
Molecular Formula	C6H12O5

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Thermo Scientific Chemicals Lauric acid, 99%

CAS: 143-07-7 Molecular Formula: C₁₂H₂₄O₂ Molecular Weight (g/mol): 200.32 MDL Number: MFCD00002736 InChI Key: POULHZVOKOAJMA-UHFFFAOYSA-N Synonym: lauric acid,n-dodecanoic acid,dodecylic acid,vulvic acid,laurostearic acid,dodecoic acid,duodecylic acid,1-undecanecarboxylic acid,aliphat no. 4,neo-fat 12 PubChem CID: 3893 ChEBI: CHEBI:30805 IUPAC Name: dodecanoic acid SMILES: CCCCCCCCCCCC(=O)O

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Specifications

Fatty acid conjugates

PubChem CID	3893
CAS	143-07-7
Molecular Weight (g/mol)	200.32
ChEBI	CHEBI:30805
MDL Number	MFCD00002736
SMILES	CCCCCCCCCCCC(=O)O
Synonym	lauric acid,n-dodecanoic acid,dodecylic acid,vulvic acid,laurostearic acid,dodecoic acid,duodecylic acid,1-undecanecarboxylic acid,aliphat no. 4,neo-fat 12
IUPAC Name	dodecanoic acid
InChI Key	POULHZVOKOAJMA-UHFFFAOYSA-N
Molecular Formula	C₁₂H₂₄O₂

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Tributyrin, 97%

CAS: 60-01-5 Molecular Formula: C₁₅H₂₆O₆ Molecular Weight (g/mol): 302.36 MDL Number: MFCD00009392 InChI Key: UYXTWWCETRIEDR-UHFFFAOYSA-N Synonym: tributyrin,glyceryl tributyrate,glycerol tributyrate,tributin,butyrin,butyryl triglyceride,propane-1,2,3-triyl tributyrate,glycerol tributanoate,glyceroltributyrin,tri-n-butyrin PubChem CID: 6050 ChEBI: CHEBI:35020 IUPAC Name: 2,3-di(butanoyloxy)propyl butanoate SMILES: CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC

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Specifications

Glycerolipids

PubChem CID	6050
CAS	60-01-5
Molecular Weight (g/mol)	302.36
ChEBI	CHEBI:35020
MDL Number	MFCD00009392
SMILES	CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC
Synonym	tributyrin,glyceryl tributyrate,glycerol tributyrate,tributin,butyrin,butyryl triglyceride,propane-1,2,3-triyl tributyrate,glycerol tributanoate,glyceroltributyrin,tri-n-butyrin
IUPAC Name	2,3-di(butanoyloxy)propyl butanoate
InChI Key	UYXTWWCETRIEDR-UHFFFAOYSA-N
Molecular Formula	C₁₅H₂₆O₆

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Citral, 95%, mixture of cis and trans

CAS: 5392-40-5 Molecular Formula: C10H16O Molecular Weight (g/mol): 152.24 MDL Number: MFCD00006997 InChI Key: WTEVQBCEXWBHNA-JXMROGBWSA-N Synonym: citral,geranial,trans-citral,3,7-dimethylocta-2,6-dienal,geranialdehyde,e-citral,citral a,2e-3,7-dimethylocta-2,6-dienal,alpha-citral,lemsyn gb PubChem CID: 638011 ChEBI: CHEBI:16980 IUPAC Name: (2E)-3,7-dimethylocta-2,6-dienal SMILES: CC(C)=CCC\C(C)=C\C=O

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Specifications

Monoterpenoids

PubChem CID	638011
CAS	5392-40-5
Molecular Weight (g/mol)	152.24
ChEBI	CHEBI:16980
MDL Number	MFCD00006997
SMILES	CC(C)=CCC\C(C)=C\C=O
Synonym	citral,geranial,trans-citral,3,7-dimethylocta-2,6-dienal,geranialdehyde,e-citral,citral a,2e-3,7-dimethylocta-2,6-dienal,alpha-citral,lemsyn gb
IUPAC Name	(2E)-3,7-dimethylocta-2,6-dienal
InChI Key	WTEVQBCEXWBHNA-JXMROGBWSA-N
Molecular Formula	C10H16O

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Citronellol, 95%

CAS: 106-22-9 Molecular Formula: C₁₀H₂₀O Molecular Weight (g/mol): 156.27 MDL Number: MFCD00002935 InChI Key: QMVPMAAFGQKVCJ-UHFFFAOYSA-N Synonym: citronellol,beta-citronellol,3,7-dimethyl-6-octen-1-ol,dl-citronellol,cephrol,elenol,6-octen-1-ol, 3,7-dimethyl,rodinol,2,3-dihydrogeraniol,2,6-dimethyl-2-octen-8-ol PubChem CID: 8842 ChEBI: CHEBI:50462 IUPAC Name: 3,7-dimethyloct-6-en-1-ol SMILES: CC(CCC=C(C)C)CCO

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Specifications

Monoterpenoids

PubChem CID	8842
CAS	106-22-9
Molecular Weight (g/mol)	156.27
ChEBI	CHEBI:50462
MDL Number	MFCD00002935
SMILES	CC(CCC=C(C)C)CCO
Synonym	citronellol,beta-citronellol,3,7-dimethyl-6-octen-1-ol,dl-citronellol,cephrol,elenol,6-octen-1-ol, 3,7-dimethyl,rodinol,2,3-dihydrogeraniol,2,6-dimethyl-2-octen-8-ol
IUPAC Name	3,7-dimethyloct-6-en-1-ol
InChI Key	QMVPMAAFGQKVCJ-UHFFFAOYSA-N
Molecular Formula	C₁₀H₂₀O

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Thermo Scientific Chemicals Myristic acid, 99%

CAS: 544-63-8 Molecular Formula: C14H28O2 Molecular Weight (g/mol): 228.38 MDL Number: MFCD00002744 InChI Key: TUNFSRHWOTWDNC-UHFFFAOYSA-N Synonym: myristic acid,n-tetradecanoic acid,n-tetradecoic acid,crodacid,n-tetradecan-1-oic acid,1-tridecanecarboxylic acid,hydrofol acid 1495,univol u 316s,emery 655,myristinsaeure PubChem CID: 11005 ChEBI: CHEBI:28875 IUPAC Name: tetradecanoic acid SMILES: CCCCCCCCCCCCCC(O)=O

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Specifications

Fatty acid conjugates

PubChem CID	11005
CAS	544-63-8
Molecular Weight (g/mol)	228.38
ChEBI	CHEBI:28875
MDL Number	MFCD00002744
SMILES	CCCCCCCCCCCCCC(O)=O
Synonym	myristic acid,n-tetradecanoic acid,n-tetradecoic acid,crodacid,n-tetradecan-1-oic acid,1-tridecanecarboxylic acid,hydrofol acid 1495,univol u 316s,emery 655,myristinsaeure
IUPAC Name	tetradecanoic acid
InChI Key	TUNFSRHWOTWDNC-UHFFFAOYSA-N
Molecular Formula	C14H28O2

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Itaconic acid, 99+%

CAS: 97-65-4 Molecular Formula: C₅H₆O₄ Molecular Weight (g/mol): 130.1 InChI Key: LVHBHZANLOWSRM-UHFFFAOYSA-N Synonym: itaconic acid,2-methylenesuccinic acid,methylenesuccinic acid,methylenebutanedioic acid,propylenedicarboxylic acid,itaconate,2-propene-1,2-dicarboxylic acid,butanedioic acid, methylene,succinic acid, methylene,2-methylenebutanedioic acid PubChem CID: 811 ChEBI: CHEBI:30838 IUPAC Name: 2-methylidenebutanedioic acid SMILES: C=C(CC(=O)O)C(=O)O

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Specifications

Fatty acid conjugates

PubChem CID	811
CAS	97-65-4
Molecular Weight (g/mol)	130.1
ChEBI	CHEBI:30838
SMILES	C=C(CC(=O)O)C(=O)O
Synonym	itaconic acid,2-methylenesuccinic acid,methylenesuccinic acid,methylenebutanedioic acid,propylenedicarboxylic acid,itaconate,2-propene-1,2-dicarboxylic acid,butanedioic acid, methylene,succinic acid, methylene,2-methylenebutanedioic acid
IUPAC Name	2-methylidenebutanedioic acid
InChI Key	LVHBHZANLOWSRM-UHFFFAOYSA-N
Molecular Formula	C₅H₆O₄

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Sodium caprylate, 98%

CAS: 1984-06-1 Molecular Formula: C₈H₁₅NaO₂ Molecular Weight (g/mol): 166.2 MDL Number: MFCD00058511 InChI Key: BYKRNSHANADUFY-UHFFFAOYSA-M Synonym: sodium octanoate,sodium caprylate,octanoic acid, sodium salt,sodium n-octanoate,sodium octoate,natrium octanoat,caprylic acid sodium salt,octanoic acid sodium salt,octanoic acid, sodium salt 1:1,unii-9xtm81vk2b PubChem CID: 23664772

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Specifications

Fatty acid conjugates

PubChem CID	23664772
CAS	1984-06-1
Molecular Weight (g/mol)	166.2
MDL Number	MFCD00058511
Synonym	sodium octanoate,sodium caprylate,octanoic acid, sodium salt,sodium n-octanoate,sodium octoate,natrium octanoat,caprylic acid sodium salt,octanoic acid sodium salt,octanoic acid, sodium salt 1:1,unii-9xtm81vk2b
InChI Key	BYKRNSHANADUFY-UHFFFAOYSA-M
Molecular Formula	C₈H₁₅NaO₂

Sodium cholate hydrate, 99%, Thermo Scientific Chemicals

CAS: 206986-87-0 Molecular Formula: C24H39NaO5 Molecular Weight (g/mol): 430.56 MDL Number: MFCD00064138 MFCD00003672 InChI Key: NRHMKIHPTBHXPF-TUJRSCDTSA-M PubChem CID: 23679061 IUPAC Name: sodium;(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;hydrate SMILES: [Na+].[H][C@@]12CC[C@H]([C@H](C)CCC([O-])=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@H](O)CC[C@]12C

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Specifications

Steroids and derivatives

PubChem CID	23679061
CAS	206986-87-0
Molecular Weight (g/mol)	430.56
MDL Number	MFCD00064138 MFCD00003672
SMILES	[Na+].[H][C@@]12CC[C@H]([C@H](C)CCC([O-])=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@H](O)CC[C@]12C
IUPAC Name	sodium;(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;hydrate
InChI Key	NRHMKIHPTBHXPF-TUJRSCDTSA-M
Molecular Formula	C24H39NaO5

Retinoic acid, 97%

CAS: 302-79-4 Molecular Formula: C20H28O2 Molecular Weight (g/mol): 300.44 MDL Number: MFCD00001551 InChI Key: SHGAZHPCJJPHSC-YCNIQYBTSA-N Synonym: retinoic acid,tretinoin,vitamin a acid,all-trans-retinoic acid,trans-retinoic acid,renova,airol,retin-a,vesanoid,atra PubChem CID: 444795 ChEBI: CHEBI:15367 SMILES: C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O

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Specifications

Fatty acid conjugates

PubChem CID	444795
CAS	302-79-4
Molecular Weight (g/mol)	300.44
ChEBI	CHEBI:15367
MDL Number	MFCD00001551
SMILES	C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O
Synonym	retinoic acid,tretinoin,vitamin a acid,all-trans-retinoic acid,trans-retinoic acid,renova,airol,retin-a,vesanoid,atra
InChI Key	SHGAZHPCJJPHSC-YCNIQYBTSA-N
Molecular Formula	C20H28O2

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