CAS: 154-17-6 Molecular Formula: C6H12O5 Molecular Weight (g/mol): 164.16 MDL Number: MFCD00151328 InChI Key: PMMURAAUARKVCB-PHUJZJCSNA-N Synonym: 2 deoxy d glucose, 2 deoxyglucose, 3r,4s,5r-3,4,5,6-tetrahydroxyhexanal, d-glucose, 2-deoxy, arabino-hexose, 2-deoxy, d-arabino-hexose, 2-deoxy, unii-9g2mp84a8w, 2-deoxy-d-arabinohexose, 2-deoxy-d-mannose, deoxyglucose 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

CAS: 6089-09-4 Molecular Formula: C₅H₆O₂ Molecular Weight (g/mol): 98.1 MDL Number: MFCD00004407 InChI Key: MLBYLEUJXUBIJJ-UHFFFAOYSA-M Synonym: acmc-1az7d, pent-4-yn-oic acid, pubchem3491, zlchem 796, pent4-ynoic acid, 4-pentynoicacid, pent-4-yn-1-oic acid, propargylacetic acid, 4-pentynoic acid PubChem CID: 22464 IUPAC Name: pent-4-ynoic acid SMILES: C#CCCC(=O)O

CAS: 106-24-1 Molecular Formula: C₁₀H₁₈O Molecular Weight (g/mol): 154.25 MDL Number: MFCD00002917 InChI Key: GLZPCOQZEFWAFX-JXMROGBWSA-N Synonym: geraniol extra, 2e-3,7-dimethylocta-2,6-dien-1-ol, e-3,7-dimethylocta-2,6-dien-1-ol, trans-3,7-dimethyl-2,6-octadien-1-ol, e-nerol, e-geraniol, trans-geraniol, geranyl alcohol, lemonol, geraniol PubChem CID: 637566 ChEBI: CHEBI:17447 IUPAC Name: (2E)-3,7-dimethylocta-2,6-dien-1-ol SMILES: CC(=CCCC(=CCO)C)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: 81-25-4 Molecular Formula: C24H40O5 Molecular Weight (g/mol): 408.579 MDL Number: MFCD00003672 InChI Key: BHQCQFFYRZLCQQ-OELDTZBJSA-N Synonym: 3alpha,7alpha,12alpha-trihydroxy-5beta-cholanic acid, cholic acid, 5beta, cholicacid, cholbam, cholsaeure, colalin, cholalin, cholate, cholalic acid, cholic acid PubChem CID: 221493 ChEBI: CHEBI:16359 IUPAC Name: (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]pentanoic acid SMILES: CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C

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: 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: 89-83-8 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.221 MDL Number: MFCD00002309 InChI Key: MGSRCZKZVOBKFT-UHFFFAOYSA-N Synonym: 2-Isopropyl-5-methylphenol 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: 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: 18172-67-3 Molecular Formula: C10H16 Molecular Weight (g/mol): 136.238 MDL Number: MFCD00001345 InChI Key: WTARULDDTDQWMU-IUCAKERBSA-N Synonym: afn153a7su, 1s-1-beta-pinene, --?-pinene, unii-afn153a7su, --pin-2 10-ene, --b-pinene, 1s---beta-pinene, 1s,5s-6,6-dimethyl-2-methylenebicyclo 3.1.1 heptane, --nopinene, --beta-pinene PubChem CID: 440967 ChEBI: CHEBI:28359 IUPAC Name: (1S,5S)-6,6-dimethyl-4-methylidenebicyclo[3.1.1]heptane SMILES: CC1(C2CCC(=C)C1C2)C

CAS: 125-20-2 Molecular Formula: C28H30O4 Molecular Weight (g/mol): 430.544 MDL Number: MFCD00005909 InChI Key: LDKDGDIWEUUXSH-UHFFFAOYSA-N Synonym: 3,3-bis 4-hydroxy-2-methyl-5-propan-2-ylphenyl-2-benzofuran-1-one, 5',5-diisopropyl-2',2-dimethylphenolphthalein, 1 3h-isobenzofuranone, 3,3-bis 4-hydroxy-2-methyl-5-1-methylethyl phenyl, 3,3-bis 4-hydroxy-5-isopropyl-2-methylphenyl-2-benzofuran-1 3h-one, phenolphthalein, 5',5-diisopropyl-2',2-dimethyl, yg5i28wsqp, unii-yg5i28wsqp, thymophthalein, thymolphthalein PubChem CID: 31316 IUPAC Name: 3,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-benzofuran-1-one SMILES: CC1=CC(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C)O)C(C)C)C(C)C)O

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

CAS: 83-43-2 Molecular Formula: C22H30O5 Molecular Weight (g/mol): 374.48 MDL Number: MFCD00010591 InChI Key: VHRSUDSXCMQTMA-PJHHCJLFSA-N Synonym: dopomedrol, metilprednisolone, medrate, metilbetasone, 6alpha-methylprednisolone, methylprednisolon, urbason, medrone, medrol, methylprednisolone PubChem CID: 6741 ChEBI: CHEBI:6888 IUPAC Name: (6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one SMILES: C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12

CAS: 50-02-2 Molecular Formula: C22H29FO5 Molecular Weight (g/mol): 392.47 MDL Number: MFCD00064136 InChI Key: UREBDLICKHMUKA-CXSFZGCWSA-N Synonym: hexadrol, dexasone, dexacort, hexadecadrol, desametasone, decaspray, maxidex, dexamethazone, decadron, dexamethasone PubChem CID: 5743 ChEBI: CHEBI:41879 SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO

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: 110-42-9 Molecular Formula: C11H22O2 Molecular Weight (g/mol): 186.30 MDL Number: MFCD00009580 InChI Key: YRHYCMZPEVDGFQ-UHFFFAOYSA-N Synonym: methyl n-caprate, methyl n-decanoate, metholene 2095, uniphat a30, methyl-n-caprate, decanoic acid methyl ester, capric acid methyl ester, methyl caprinate, decanoic acid, methyl ester, methyl caprate PubChem CID: 8050 IUPAC Name: methyl decanoate SMILES: CCCCCCCCCC(=O)OC

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

CAS: 481-21-0 Molecular Formula: C₂₇H₄₈ Molecular Weight (g/mol): 372.67 MDL Number: MFCD00066412 InChI Key: XIIAYQZJNBULGD-XWLABEFZSA-N Synonym: cholestane van, 5?-cholestane, 5alpha-cholestane 8ci, unii-u260hwn305, 28,29,30-trinorlanostane, cholestane, alpha-cholestane, 5-alpha-cholestane, 5alpha-cholestane PubChem CID: 2723895 ChEBI: CHEBI:35515 IUPAC Name: (5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCCC4)C)C

CAS: 99-87-6 Molecular Formula: C₁₀H₁₄ Molecular Weight (g/mol): 134.22 MDL Number: MFCD00008893 InChI Key: HFPZCAJZSCWRBC-UHFFFAOYSA-N Synonym: camphogen, 1-isopropyl-4-methylbenzene, para-cymene, cymene, paracymene, p-cymol, dolcymene, p-isopropyltoluene, 4-isopropyltoluene, p-cymene PubChem CID: 7463 ChEBI: CHEBI:28768 IUPAC Name: 1-methyl-4-propan-2-ylbenzene SMILES: CC1=CC=C(C=C1)C(C)C

CAS: 57-83-0 Molecular Formula: C₂₁H₃₀O₂ Molecular Weight (g/mol): 314.46 MDL Number: MFCD00003658 InChI Key: RJKFOVLPORLFTN-LEKSSAKUSA-N Synonym: utrogestan, syngesterone, progestin, corpus luteum hormone, 4-pregnene-3,20-dione, crinone, pregn-4-ene-3,20-dione, luteohormone, agolutin, progesterone PubChem CID: 5994 ChEBI: CHEBI:17026 IUPAC Name: (8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one SMILES: CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C

CAS: 557-05-1 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: 6089-09-4 MDL Number: MFCD00004407

CAS: 84371-65-3 Molecular Formula: C₂₉H₃₅NO₂ Molecular Weight (g/mol): 429.59 InChI Key: VKHAHZOOUSRJNA-GCNJZUOMSA-N Synonym: mifepristona spanish, mifepristonum latin, korlym, mifepristonum, mifepristona, corlux, mifepriston, mifegyne, mifeprex, mifepristone PubChem CID: 55245 ChEBI: CHEBI:50692 IUPAC Name: (8S,11R,13S,14S,17S)-11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one SMILES: CC#CC1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)N(C)C)C)O

CAS: 112-42-5 Molecular Formula: C₁₁H₂₄O Molecular Weight (g/mol): 172.31 MDL Number: MFCD00004751 InChI Key: KJIOQYGWTQBHNH-UHFFFAOYSA-N Synonym: tip-nip, n-hendecylenic alcohol, 1-hendecanol, hendecyl alcohol, hendecanoic alcohol, n-undecyl alcohol, n-undecanol, undecanol, undecyl alcohol, 1-undecanol PubChem CID: 8184 ChEBI: CHEBI:87499 IUPAC Name: undecan-1-ol SMILES: CCCCCCCCCCCO

CAS: 111-11-5 Molecular Formula: C₉H₁₈O₂ Molecular Weight (g/mol): 158.24 MDL Number: MFCD00009551 InChI Key: JGHZJRVDZXSNKQ-UHFFFAOYSA-N Synonym: fema no. 2728, unii-7mo740x6ql, methyl caprylate natural, methyl octylate, octanoic acid methyl ester, uniphat a20, octanoic acid, methyl ester, methyl n-octanoate, caprylic acid methyl ester, methyl caprylate PubChem CID: 8091 ChEBI: CHEBI:87432 IUPAC Name: methyl octanoate SMILES: CCCCCCCC(=O)OC

CAS: 76-22-2 Molecular Formula: C10H16O Molecular Weight (g/mol): 152.24 MDL Number: MFCD00074738,MFCD00064149 InChI Key: DSSYKIVIOFKYAU-UHFFFAOYNA-N Synonym: alphanon, bornan-2-one, 1,7,7-trimethylbicyclo 2.2.1 heptan-2-one, root bark oil, +/--camphor, l---camphor, 2-bornanone, 2-camphanone, dl-camphor, camphor PubChem CID: 2537 ChEBI: CHEBI:36773 IUPAC Name: 4,7,7-trimethylbicyclo[2.2.1]heptan-3-one SMILES: CC1(C)C2CCC1(C)C(=O)C2

CAS: 98-55-5 Molecular Formula: C₁₀H₁₈O Molecular Weight (g/mol): 154.25 MDL Number: MFCD00001557 InChI Key: WUOACPNHFRMFPN-UHFFFAOYSA-N Synonym: terpenol, carvomenthenol, terpineol schlechthin, 1-menthene-8-ol, 1-p-menthen-8-ol, dl-alpha-terpineol, 2-4-methylcyclohex-3-en-1-yl propan-2-ol, p-menth-1-en-8-ol, terpineol, alpha-terpineol PubChem CID: 17100 ChEBI: CHEBI:22469 IUPAC Name: 2-(4-methylcyclohex-3-en-1-yl)propan-2-ol SMILES: CC1=CCC(CC1)C(C)(C)O

CAS: 112-53-8 Molecular Formula: C12H26O Molecular Weight (g/mol): 186.34 MDL Number: MFCD00004753 InChI Key: LQZZUXJYWNFBMV-UHFFFAOYSA-N Synonym: 1-dodecyl alcohol, dodecylalcohol, undecyl carbinol, laurinic alcohol, lauric alcohol, n-dodecyl alcohol, dodecanol, lauryl alcohol, dodecyl alcohol, 1-dodecanol PubChem CID: 8193 ChEBI: CHEBI:28878 IUPAC Name: dodecan-1-ol SMILES: CCCCCCCCCCCCO