CAS: 111-02-4 Molecular Formula: C30H50 Molecular Weight (g/mol): 410.73 MDL Number: MFCD00008912 InChI Key: YYGNTYWPHWGJRM-AAJYLUCBSA-N Synonym: spinacen, 7qwm220fjh, unii-7qwm220fjh, e,e,e,e-squalene, 2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene, all-trans-squalene, supraene, spinacene, trans-squalene, squalene PubChem CID: 638072 ChEBI: CHEBI:15440 IUPAC Name: (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene SMILES: CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C

CAS: 50-14-6 Molecular Formula: C28H44O Molecular Weight (g/mol): 396.66 MDL Number: MFCD00166988,MFCD11656674 InChI Key: MECHNRXZTMCUDQ-VLOQVYPSSA-N Synonym: crystallina, condocaps, detalup, ergorone, ercalciol, oleovitamin d2, viosterol, calciferol, vitamin d2, ergocalciferol PubChem CID: 134129658 IUPAC Name: (1S)-3-[2-[(1S,7aR)-1-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol SMILES: CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1/C[C@@H](O)CCC1=C

CAS: 67-97-0 Molecular Formula: C27H44O Molecular Weight (g/mol): 384.648 MDL Number: MFCD00078131 InChI Key: QYSXJUFSXHHAJI-YRZJJWOYSA-N Synonym: colecalciferolum, colecalcipherol, vitamin d, activated 7-dehydrocholesterol, arachitol, oleovitamin d3, colecalciferol, calciol, cholecalciferol, vitamin d3 PubChem CID: 5280795 ChEBI: CHEBI:28940 IUPAC Name: (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol SMILES: CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C

CAS: 822-16-2 Molecular Formula: C18H35NaO2 Molecular Weight (g/mol): 306.466 MDL Number: MFCD00036404 InChI Key: RYYKJJJTJZKILX-UHFFFAOYSA-M Synonym: unii-qu7e2xa9tg, bonderlube 235, stearic acid sodium salt, flexichem b, prodhygine, stearic acid, sodium salt, stearates, octadecanoic acid, sodium salt, sodium octadecanoate, sodium stearate PubChem CID: 2724691 IUPAC Name: sodium;octadecanoate SMILES: CCCCCCCCCCCCCCCCCC(=O)[O-].[Na+]

CAS: 60-32-2 Molecular Formula: C6H13NO2 Molecular Weight (g/mol): 131.175 InChI Key: SLXKOJJOQWFEFD-UHFFFAOYSA-N Synonym: caprolisin, acepramin, eaca, epsamon, caprocid, capramol, epsikapron, amicar, aminocaproic acid, 6-aminocaproic acid PubChem CID: 564 ChEBI: CHEBI:16586 IUPAC Name: 6-aminohexanoic acid SMILES: C(CCC(=O)O)CCN

CAS: 18881-04-4 Molecular Formula: C₁₀H₁₆O Molecular Weight (g/mol): 152.24 MDL Number: MFCD00065444 InChI Key: WONIGEXYPVIKFS-YIZRAAEISA-N Synonym: ?-cis-verbenol, ccris 5289, 1s-cis-verbenol, bicyclo 3.1.1 hept-3-en-2-ol, 4,6,6-trimethyl-, 1s,2s,5s, cis-verbenol, unii-xr9t57f48t, verbenol, s-cis, s-cis-verbenol PubChem CID: 87839 IUPAC Name: (1S,2S,5S)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol SMILES: CC1=CC(C2CC1C2(C)C)O

CAS: 5989-27-5 Molecular Formula: C10H16 Molecular Weight (g/mol): 136.24 MDL Number: MFCD00062991 InChI Key: XMGQYMWWDOXHJM-JTQLQIEISA-N Synonym: d-+-limonene, 4r-limonene, +-p-mentha-1,8-diene, citrene, +-dipentene, +-carvene, +-4r-limonene, r-+-limonene, +-limonene, d-limonene PubChem CID: 440917 ChEBI: CHEBI:15382 SMILES: CC(=C)[C@@H]1CCC(C)=CC1

CAS: 68-26-8 Molecular Formula: C20H30O Molecular Weight (g/mol): 286.459 MDL Number: MFCD00001552 InChI Key: FPIPGXGPPPQFEQ-OVSJKPMPSA-N Synonym: alphasterol, chocola a, oleovitamin a, vitamin a alcohol, axerophthol, alphalin, vitamin a1, all-trans-retinol, vitamin a, retinol PubChem CID: 445354 ChEBI: CHEBI:17336 IUPAC Name: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol SMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C

CAS: 124-07-2 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.214 MDL Number: MFCD00004429 InChI Key: WWZKQHOCKIZLMA-UHFFFAOYSA-N Synonym: enantic acid, 1-heptanecarboxylic acid, neo-fat 8, n-octoic acid, n-octylic acid, octoic acid, n-caprylic acid, octylic acid, n-octanoic acid, caprylic acid PubChem CID: 379 ChEBI: CHEBI:28837 IUPAC Name: octanoic acid SMILES: CCCCCCCC(=O)O

CAS: 5989-27-5 Molecular Formula: C10H16 Molecular Weight (g/mol): 136.24 MDL Number: MFCD00062991 InChI Key: XMGQYMWWDOXHJM-JTQLQIEISA-N Synonym: d-+-limonene, 4r-limonene, +-p-mentha-1,8-diene, citrene, +-dipentene, +-carvene, +-4r-limonene, r-+-limonene, +-limonene, d-limonene PubChem CID: 440917 ChEBI: CHEBI:15382 IUPAC Name: (4R)-1-methyl-4-prop-1-en-2-ylcyclohexene SMILES: CC(=C)[C@@H]1CCC(C)=CC1

CAS: 112-80-1 Molecular Formula: C18H34O2 Molecular Weight (g/mol): 282.47 MDL Number: MFCD00064242 InChI Key: ZQPPMHVWECSIRJ-MDZDMXLPSA-N Synonym: z-octadec-9-enoic acid, glycon ro, pamolyn 100, wecoline oo, glycon wo, oleate, elaidoic acid, cis-oleic acid, cis-9-octadecenoic acid, oleic acid PubChem CID: 445639 ChEBI: CHEBI:16196 SMILES: CCCCCCCC\C=C\CCCCCCCC(O)=O

CAS: 127-47-9 Molecular Formula: C22H32O2 Molecular Weight (g/mol): 328.496 MDL Number: MFCD00019413 InChI Key: QGNJRVVDBSJHIZ-QHLGVNSISA-N Synonym: davitan a 650, vitamin a alcohol acetate, all-trans-retinol acetate, vitamin a1 acetate, crystalets, all-trans-retinyl acetate, retinol, acetate, retinol acetate, vitamin a acetate, retinyl acetate PubChem CID: 638034 ChEBI: CHEBI:32095 IUPAC Name: [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] acetate SMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCOC(=O)C)C)C

CAS: 1921-70-6 Molecular Formula: C₁₉H₄₀ Molecular Weight (g/mol): 268.51 InChI Key: XOJVVFBFDXDTEG-UHFFFAOYSA-N Synonym: norphytane, robuoy, meso-form, 2,6,10,10-tetramethylpentadecane, meso-pristane, pentadecane, 2,6,10,14-tetramethyl, pristan, norphytan, bute hydrocarbon, norphytane, pristane PubChem CID: 15979 ChEBI: CHEBI:53181 IUPAC Name: 2,6,10,14-tetramethylpentadecane SMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)C

CAS: 50-28-2 Molecular Formula: C₁₈H₂₄O₂ Molecular Weight (g/mol): 272.38 InChI Key: VOXZDWNPVJITMN-ZBRFXRBCSA-N Synonym: dihydroxyestrin, dihydrotheelin, progynon, ovocyclin, estrace, dihydrofolliculin, oestradiol, 17beta-estradiol, beta-estradiol, estradiol PubChem CID: 5757 ChEBI: CHEBI:16469 IUPAC Name: (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol SMILES: CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O

CAS: 334-48-5 Molecular Formula: C10H20O2 Molecular Weight (g/mol): 172.268 MDL Number: MFCD00004441 InChI Key: GHVNFZFCNZKVNT-UHFFFAOYSA-N Synonym: caprynic acid, 1-nonanecarboxylic acid, n-decoic acid, n-decylic acid, decoic acid, caprinic acid, decylic acid, n-capric acid, n-decanoic acid, capric acid PubChem CID: 2969 ChEBI: CHEBI:30813 IUPAC Name: decanoic acid SMILES: CCCCCCCCCC(=O)O

CAS: 142-62-1 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00004421 InChI Key: FUZZWVXGSFPDMH-UHFFFAOYSA-N Synonym: n-hexoic acid, n-hexylic acid, 1-hexanoic acid, pentylformic acid, hexoic acid, butylacetic acid, n-caproic acid, n-hexanoic acid, capronic acid, caproic acid PubChem CID: 8892 ChEBI: CHEBI:30776 IUPAC Name: hexanoic acid SMILES: CCCCCC(=O)O

CAS: 373-49-9 Molecular Formula: C16H30O2 Molecular Weight (g/mol): 254.41 MDL Number: MFCD00004437 InChI Key: SECPZKHBENQXJG-FPLPWBNLSA-N Synonym: zoomeric acid, cis-palmitoleic acid, palmitolinoleic acid, 9z-hexadecenoic acid, z-9-hexadecenoic acid, zoomaric acid, 9-cis-hexadecenoic acid, z-hexadec-9-enoic acid, cis-9-hexadecenoic acid, palmitoleic acid PubChem CID: 445638 ChEBI: CHEBI:28716 SMILES: CCCCCC\C=C/CCCCCCCC(O)=O

CAS: 629-11-8 Molecular Formula: C6H14O2 Molecular Weight (g/mol): 118.176 MDL Number: MFCD00002985 InChI Key: XXMIOPMDWAUFGU-UHFFFAOYSA-N Synonym: 1,6-hexylene glycol, 6-hydroxy-1-hexanol, ccris 8982, unii-zia319275i, .alpha.,.omega.-hexanediol, alpha,omega-hexanediol, hexamethylenediol, 1,6-dihydroxyhexane, hexamethylene glycol, 1,6-hexanediol PubChem CID: 12374 ChEBI: CHEBI:43078 IUPAC Name: hexane-1,6-diol SMILES: C(CCCO)CCO

CAS: 112-80-1 Molecular Formula: C18H34O2 Molecular Weight (g/mol): 282.47 MDL Number: MFCD00064242 InChI Key: ZQPPMHVWECSIRJ-MDZDMXLPSA-N Synonym: z-octadec-9-enoic acid, glycon ro, pamolyn 100, wecoline oo, glycon wo, oleate, elaidoic acid, cis-oleic acid, cis-9-octadecenoic acid, oleic acid PubChem CID: 445639 ChEBI: CHEBI:16196 IUPAC Name: (Z)-octadec-9-enoic acid SMILES: CCCCCCCC\C=C\CCCCCCCC(O)=O

CAS: 52462-29-0 Molecular Formula: C₂₀H₂₈Cl₄Ru₂ Molecular Weight (g/mol): 612.39 MDL Number: MFCD00064793 InChI Key: LAXRNWSASWOFOT-UHFFFAOYSA-J Synonym: dichloro-p-cymene ruthenium ii dimer, p-cymene ruthenium ii chloride dimer, dichloro p-cymene ruthenium dimer, ru p-cymene cl2 2, rucl2 p-cymene 2, di-mu-chloro-bis chloro p-cymene ruthenium ii, dichloro p-cymene ruthenium ii dimer PubChem CID: 10908223 IUPAC Name: dichlororuthenium;1-methyl-4-propan-2-ylbenzene SMILES: CC1=CC=C(C=C1)C(C)C.CC1=CC=C(C=C1)C(C)C.Cl[Ru]Cl.Cl[Ru]Cl

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

CAS: 52-39-1 Molecular Formula: C21H28O5 Molecular Weight (g/mol): 360.45 MDL Number: MFCD00051136 InChI Key: PQSUYGKTWSAVDQ-ZVIOFETBSA-N Synonym: 18-oxocorticosterone, reichstein x, d-aldosterone, elektrocortin, +-aldosterone, aldocortene, aldocorten, aldocortin, electrocortin, aldosterone PubChem CID: 5839 ChEBI: CHEBI:27584 IUPAC Name: (8S,9S,10R,11S,13R,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-13-carbaldehyde SMILES: CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4C(=O)CO)C=O)O

CAS: 463-40-1 Molecular Formula: C₁₈H₃₀O₂ Molecular Weight (g/mol): 278.44 MDL Number: MFCD00065720 InChI Key: DTOSIQBPPRVQHS-PDBXOOCHSA-N Synonym: z,z,z-9,12,15-octadecatrienoic acid, 9-cis,12-cis,15-cis-octadecatrienoic acid, alpha-linolenate, all-cis-9,12,15-octadecatrienoic acid, cis,cis,cis-9,12,15-octadecatrienoic acid, a-linolenic acid, 9z,12z,15z-octadeca-9,12,15-trienoic acid, linolenate, alpha-linolenic acid, linolenic 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

CAS: 13734-40-2 Molecular Formula: C13H25NO5 Molecular Weight (g/mol): 275.35 MDL Number: MFCD00151115 InChI Key: LKRXXARJBFBMCE-BDAKNGLRSA-N Synonym: boc-o-tert-butyl-l-thr-oh, boc-l-thr tbu-oh, pubchem12289, boc-thr t-bu-oh, l-threonine, n-1,1-dimethylethoxy carbonyl-o-1,1-dimethylethyl, 2s,3r-3-tert-butoxy-2-tert-butoxycarbonyl amino butanoic acid, boc-o-t-butyl-l-threonine, boc-o-tert-butyl-l-threonine, boc-thr tbu-oh PubChem CID: 7015770 IUPAC Name: (2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid SMILES: C[C@@H](OC(C)(C)C)[C@H](NC(=O)OC(C)(C)C)C(O)=O

CAS: 13466-78-9 Molecular Formula: C₁₀H₁₆ Molecular Weight (g/mol): 136.23 MDL Number: MFCD00001315 InChI Key: BQOFWKZOCNGFEC-UHFFFAOYSA-N Synonym: +--3-carene, + car-3-ene, +--delta3-carene, bicyclo 4.1.0 hept-3-ene, 3,7,7-trimethyl, alpha-carene, monoterpenes, delta-3-carene, 3,7,7-trimethylbicyclo 4.1.0 hept-3-ene, carene, 3-carene PubChem CID: 26049 ChEBI: CHEBI:35661 IUPAC Name: 4,7,7-trimethylbicyclo[4.1.0]hept-3-ene SMILES: CC1=CCC2C(C1)C2(C)C

CAS: 14113-01-0 Molecular Formula: C10H18O4 Molecular Weight (g/mol): 202.25 MDL Number: MFCD00014385 InChI Key: KCFVQEAPUOVXTH-UHFFFAOYSA-N PubChem CID: 84204 IUPAC Name: 8-ethoxy-8-oxooctanoic acid SMILES: CCOC(=O)CCCCCCC(=O)O

CAS: 557-05-1 Molecular Formula: C36H70O4Zn Molecular Weight (g/mol): 632.332 MDL Number: MFCD00013031 InChI Key: XOOUIPVCVHRTMJ-UHFFFAOYSA-L Synonym: zink distearat, coad, mathe, hytech, metallac, hydense, stearates, zinc octadecanoate, zinc distearate, zinc stearate PubChem CID: 11178 IUPAC Name: zinc;octadecanoate SMILES: CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Zn+2]

CAS: 1119-72-8 Molecular Formula: C6H6O4 Molecular Weight (g/mol): 142.11 MDL Number: MFCD00085266 InChI Key: TXXHDPDFNKHHGW-ZPUQHVIOSA-N Synonym: 2,4-hexadienedioic acid, z,z-2,4-hexadienedioic acid, cis,cis-hexadienedioate, 2z,4z-hexadienedioic acid, 2,4-hexadienedioic acid, z,z, cis,cis-2,4-hexadienedioic acid, unii-2g78tuq51g, cis,cis-muconate, 2z,4z-hexa-2,4-dienedioic acid, cis,cis-muconic acid PubChem CID: 5280518 ChEBI: CHEBI:16508 SMILES: OC(=O)\C=C\C=C\C(O)=O

CAS: 89-83-8 Molecular Formula: C₁₀H₁₄O Molecular Weight (g/mol): 150.22 MDL Number: MFCD00002309 InChI Key: MGSRCZKZVOBKFT-UHFFFAOYSA-N Synonym: 6-isopropyl-3-methylphenol, 5-methyl-2-1-methylethyl phenol, isopropyl cresol, thymic acid, 6-isopropyl-m-cresol, 3-p-cymenol, thyme camphor, 5-methyl-2-isopropylphenol, 2-isopropyl-5-methylphenol, thymol PubChem CID: 6989 ChEBI: CHEBI:27607 IUPAC Name: 5-methyl-2-propan-2-ylphenol SMILES: CC1=CC(=C(C=C1)C(C)C)O

CAS: 8001-79-4 Molecular Formula: C57H104O9 Molecular Weight (g/mol): 933.45 MDL Number: MFCD00130746 InChI Key: ZEMPKEQAKRGZGQ-AAKVHIHISA-N Synonym: 1-o,2-o,3-o-tris z-12-hydroxy-9-octadecenoyl glycerol, castor oil usp:jan, unii-d5340y2i9g, trypsin complex, optase, xenaderm, venelex, olio di ricino, ricinus oil, castor oil PubChem CID: 14030006 IUPAC Name: 2,3-bis[[(Z)-12-hydroxyoctadec-9-enoyl]oxy]propyl (Z)-12-hydroxyoctadec-9-enoate SMILES: CCCCCCC(CC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCC(CCCCCC)O)OC(=O)CCCCCCCC=CCC(CCCCCC)O)O