CAS: 38966-21-1 Molecular Formula: C20H34O4 Molecular Weight (g/mol): 338.488 MDL Number: MFCD00083214 InChI Key: NOFOAYPPHIUXJR-APNQCZIXSA-N Synonym: +-aphidicolin, +/--aphidicolin, 3r,4r,4ar,6as,8r,9r,11as,11bs-4,9-bis hydroxymethyl-4,11b-dimethyltetradecahydro-8,11a-methanocyclohepta a naphthalene-3,9-diol, 8,11a-methano-11ah-cyclohepta a naphthalene-4,9-dimethanol, tetradecahydro-3,9-dihydroxy-4,11b-dimethyl-, 3r-3-alpha,4-alpha,4a-alpha,6a-beta,8-beta,9-beta,11a-beta,11b-beta, 9,15-cyclo-c,18-dinor-14,15-secoandrostane-4,17-dimethanol, 3,17-dihydroxy-4-methyl-, 3alpha,4alpha,5alpha,17alpha, aphidicolin, aphidicolin, +/-, ccris 1783, chembl29711, unii-192tj6pp19 PubChem CID: 457964 ChEBI: CHEBI:2766 SMILES: CC12CCC(C(C1CCC3C24CCC(C(C3)C4)(CO)O)(C)CO)O

CAS: 112-80-1 Molecular Formula: C18H34O2 Molecular Weight (g/mol): 282.468 MDL Number: MFCD00064242 InChI Key: ZQPPMHVWECSIRJ-KTKRTIGZSA-N Synonym: cis-9-octadecenoic acid, cis-oleic acid, elaidoic acid, glycon ro, glycon wo, oleate, oleic acid, pamolyn 100, wecoline oo, z-octadec-9-enoic acid PubChem CID: 445639 ChEBI: CHEBI:16196 IUPAC Name: (Z)-octadec-9-enoic acid SMILES: CCCCCCCCC=CCCCCCCCC(=O)O

CAS: 124-04-9 Molecular Formula: C6H10O4 Molecular Weight (g/mol): 146.142 MDL Number: MFCD00004420 InChI Key: WNLRTRBMVRJNCN-UHFFFAOYSA-N Synonym: 1,4-butanedicarboxylic acid, 1,6-hexanedioic acid, acifloctin, acinetten, adilactetten, adipic acid, adipinic acid, adipinsaure german, kyselina adipova, molten adipic acid PubChem CID: 196 ChEBI: CHEBI:30832 IUPAC Name: hexanedioic acid SMILES: C(CCC(=O)O)CC(=O)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, castor oil usp:jan, olio di ricino, optase, ricinus oil, trypsin complex, unii-d5340y2i9g, venelex, xenaderm 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

CAS: 111-87-5 Molecular Formula: C8H18O Molecular Weight (g/mol): 130.231 MDL Number: MFCD00002988 InChI Key: KBPLFHHGFOOTCA-UHFFFAOYSA-N Synonym: 1-hydroxyoctane, 1-octanol, capryl alcohol, caprylic alcohol, heptyl carbinol, n-octanol, n-octyl alcohol, octanol, octyl alcohol, primary octyl alcohol PubChem CID: 957 ChEBI: CHEBI:16188 IUPAC Name: octan-1-ol SMILES: CCCCCCCCO

CAS: 1592-23-0 Molecular Formula: C36H70CaO4 Molecular Weight (g/mol): 607.03 MDL Number: MFCD00036390 InChI Key: CJZGTCYPCWQAJB-UHFFFAOYSA-L Synonym: aquacal, calcium distearate, calcium octadecanoate, calcium stearate, calstar, flexichem, flexichem cs, octadecanoic acid, calcium salt, stavinor 30, stearates PubChem CID: 15324 IUPAC Name: calcium;octadecanoate SMILES: CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Ca+2]

CAS: 98-55-5 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.253 MDL Number: MFCD00001557 InChI Key: WUOACPNHFRMFPN-UHFFFAOYSA-N Synonym: 1-menthene-8-ol, 1-p-menthen-8-ol, 2-4-methylcyclohex-3-en-1-yl propan-2-ol, alpha-terpineol, carvomenthenol, dl-alpha-terpineol, p-menth-1-en-8-ol, terpenol, terpineol, terpineol schlechthin 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: 2244-16-8 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.221 MDL Number: MFCD00062997 InChI Key: ULDHMXUKGWMISQ-VIFPVBQESA-N Synonym: +-carvone, +-s-carvone, carvol, carvone, +, d +-carvone, d-carvone, s-+-carvone, s-+-p-mentha-6,8-dien-2-one, s-2-methyl-5-prop-1-en-2-yl cyclohex-2-enone, s-carvone PubChem CID: 16724 ChEBI: CHEBI:15399 IUPAC Name: (5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one SMILES: CC1=CCC(CC1=O)C(=C)C

CAS: 109-52-4 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.133 MDL Number: MFCD00004413 InChI Key: NQPDZGIKBAWPEJ-UHFFFAOYSA-N Synonym: 1-butanecarboxylic acid, butanecarboxylic acid, kyselina valerova, n-pentanoic acid, n-valeric acid, pentoic acid, propylacetic acid, valerianic acid, valeric acid, valeric acid, n PubChem CID: 7991 ChEBI: CHEBI:17418 IUPAC Name: pentanoic acid SMILES: CCCCC(=O)O

CAS: 1155-64-2 Molecular Formula: C14H20N2O4 Molecular Weight (g/mol): 280.324 MDL Number: MFCD00002638 InChI Key: CKGCFBNYQJDIGS-LBPRGKRZSA-N Synonym: 2s-2-amino-6-benzyloxy carbonyl amino hexanoic acid, 6-n-cbz-l-lysine, h-lys z-oh, l-lys cbz-oh, n epsilon-benzyloxycarbonyl-l-lysine, n-epsilon-carbobenzyloxy-l-lysine, n6-benzyloxycarbonyl-l-lysine, n6-cbz-l-lysine, nepsilon-carbobenzoxy-l-lysine, nepsilon-carbobenzyloxy-l-lysine PubChem CID: 1715626 IUPAC Name: (2S)-2-amino-6-(phenylmethoxycarbonylamino)hexanoic acid SMILES: C1=CC=C(C=C1)COC(=O)NCCCCC(C(=O)O)N

CAS: 143-07-7 Molecular Formula: C12H24O2 Molecular Weight (g/mol): 200.322 MDL Number: MFCD00002736 InChI Key: POULHZVOKOAJMA-UHFFFAOYSA-N Synonym: 1-undecanecarboxylic acid, aliphat no. 4, dodecoic acid, dodecylic acid, duodecylic acid, lauric acid, laurostearic acid, n-dodecanoic acid, neo-fat 12, vulvic acid PubChem CID: 3893 ChEBI: CHEBI:30805 IUPAC Name: dodecanoic acid SMILES: CCCCCCCCCCCC(=O)O

CAS: 481-21-0 Molecular Formula: C₂₇H₄₈ Molecular Weight (g/mol): 372.67 MDL Number: MFCD00066412 InChI Key: XIIAYQZJNBULGD-XWLABEFZSA-N Synonym: 28,29,30-trinorlanostane, 5-alpha-cholestane, 5?-cholestane, 5alpha-cholestane, 5alpha-cholestane 8ci, alpha-cholestane, cholestane, cholestane van, unii-u260hwn305 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: 345909-26-4 Molecular Formula: C26H44NNaO7S Molecular Weight (g/mol): 537.688 MDL Number: MFCD00150819 InChI Key: JAJWGJBVLPIOOH-VXFFEJGCSA-M Synonym: m6n3th81no, monosodium n-choloyltaurinate, monosodium taurocholate, monosodium taurocholic acid, sodium n-choloyltaurinate, sodium taurocholate, taurocholate sodium, taurocholate sodium salt, taurocholic acid sodium salt, unii-m6n3th81no PubChem CID: 131632374 IUPAC Name: sodium;2-[[(4R)-4-[(3R,5S,7R,8R,9R,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]pentanoyl]amino]ethanesulfonate SMILES: CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C.[Na+]

CAS: 6990-06-3 Molecular Formula: C31H48O6 Molecular Weight (g/mol): 516.72 MDL Number: MFCD00865135 InChI Key: IECPWNUMDGFDKC-MZJAQBGESA-N Synonym: flucidin, fucidate, fucidic acid, fucidin, fucidin acid, fucithalmic, fusidate, fusidic acid, fusidine, ramycin PubChem CID: 3000226 ChEBI: CHEBI:29013 IUPAC Name: (2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetyloxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acid SMILES: CC1C2CCC3(C(C2(CCC1O)C)C(CC4C3(CC(C4=C(CCC=C(C)C)C(=O)O)OC(=O)C)C)O)C

CAS: 123-99-9 Molecular Formula: C9H16O4 Molecular Weight (g/mol): 188.223 MDL Number: MFCD00004432 InChI Key: BDJRBEYXGGNYIS-UHFFFAOYSA-N Synonym: 1,7-heptanedicarboxylic acid, 1,9-nonanedioic acid, anchoic acid, azelaic acid, azelex, emerox 1110, finacea, heptanedicarboxylic acid, lepargylic acid, skinoren PubChem CID: 2266 ChEBI: CHEBI:48131 IUPAC Name: nonanedioic acid SMILES: C(CCCC(=O)O)CCCC(=O)O

CAS: 8001-79-4 Molecular Formula: C57H104O9 Molecular Weight (g/mol): 933.45 InChI Key: ZEMPKEQAKRGZGQ-AAKVHIHISA-N Synonym: 1-o,2-o,3-o-tris z-12-hydroxy-9-octadecenoyl glycerol, castor oil, castor oil usp:jan, olio di ricino, optase, ricinus oil, trypsin complex, unii-d5340y2i9g, venelex, xenaderm 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

CAS: 536-60-7 Molecular Formula: C₁₀H₁₄O Molecular Weight (g/mol): 150.22 MDL Number: MFCD00004663 InChI Key: OIGWAXDAPKFNCQ-UHFFFAOYSA-N Synonym: 4-isopropylbenzyl alcohol, 4-isopropylphenyl methanol, cumic alcohol, cumin alcohol, cuminic alcohol, cuminol, cuminyl alcohol, cumyl alcohol, p-cymen-7-ol, p-isopropylbenzyl alcohol PubChem CID: 325 ChEBI: CHEBI:27628 IUPAC Name: (4-propan-2-ylphenyl)methanol SMILES: CC(C)C1=CC=C(C=C1)CO

CAS: 50-04-4 Molecular Formula: C₂₃H₃₀O₆ Molecular Weight (g/mol): 402.48 InChI Key: ITRJWOMZKQRYTA-RFZYENFJSA-N Synonym: adreson, artriona, biocort acetate, cortadren, cortisone 21-acetate, cortisone acetate, cortisyl, cortone acetate, incortin, scheroson PubChem CID: 5745 ChEBI: CHEBI:3897 IUPAC Name: [2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate SMILES: CC(=O)OCC(=O)C1(CCC2C1(CC(=O)C3C2CCC4=CC(=O)CCC34C)C)O

CAS: 1921-70-6 Molecular Formula: C₁₉H₄₀ Molecular Weight (g/mol): 268.51 InChI Key: XOJVVFBFDXDTEG-UHFFFAOYSA-N Synonym: 2,6,10,10-tetramethylpentadecane, bute hydrocarbon, meso-form, meso-pristane, norphytan, norphytane, norphytane, robuoy, pentadecane, 2,6,10,14-tetramethyl, pristan, 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: 124-04-9 Molecular Formula: C6H10O4 Molecular Weight (g/mol): 146.142 MDL Number: MFCD00004420 InChI Key: WNLRTRBMVRJNCN-UHFFFAOYSA-N Synonym: 1,4-butanedicarboxylic acid, 1,6-hexanedioic acid, acifloctin, acinetten, adilactetten, adipic acid, adipinic acid, adipinsaure german, kyselina adipova, molten adipic acid PubChem CID: 196 ChEBI: CHEBI:30832 IUPAC Name: hexanedioic acid SMILES: C(CCC(=O)O)CC(=O)O

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

CAS: 97-65-4 Molecular Formula: C5H6O4 Molecular Weight (g/mol): 130.099 MDL Number: MFCD00004260 InChI Key: LVHBHZANLOWSRM-UHFFFAOYSA-N Synonym: 2-methylenebutanedioic acid, 2-methylenesuccinic acid, 2-propene-1,2-dicarboxylic acid, butanedioic acid, methylene, itaconate, itaconic acid, methylenebutanedioic acid, methylenesuccinic acid, propylenedicarboxylic acid, succinic acid, methylene PubChem CID: 811 ChEBI: CHEBI:30838 IUPAC Name: 2-methylidenebutanedioic acid SMILES: C=C(CC(=O)O)C(=O)O

CAS: 701-97-3 Molecular Formula: C9H16O2 Molecular Weight (g/mol): 156.225 MDL Number: MFCD00001527 InChI Key: HJZLEGIHUQOJBA-UHFFFAOYSA-N Synonym: 3-cyclohexanepropionic acid, 3-cyclohexyl propionic acid, 3-cyclohexyl-propionic acid, 3-cyclohexylpropionic acid, cyclohexane propionic acid, cyclohexanepropanoic acid, cyclohexanepropionic acid, cyclohexyl propionic acid, u36w9hnv6d, unii-u36w9hnv6d PubChem CID: 69702 IUPAC Name: 3-cyclohexylpropanoic acid SMILES: C1CCC(CC1)CCC(=O)O

CAS: 14375-45-2 Molecular Formula: C15H20O4 Molecular Weight (g/mol): 264.321 MDL Number: MFCD00075619 InChI Key: JLIDBLDQVAYHNE-LXGGSRJLSA-N Synonym: +-abscisic acid, +/--abscisic acid, 2-cis-abscisic acid, 2z,4e-5-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl-3-methylpenta-2,4-dienoic acid, abscisic acid, abscisinsaeure, abszisinsaeure, acide abscissique, acido abscisico, rs-abscisic acid PubChem CID: 5375199 ChEBI: CHEBI:22152 IUPAC Name: (2Z,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid SMILES: CC1=CC(=O)CC(C1(C=CC(=CC(=O)O)C)O)(C)C

CAS: 434-03-7 Molecular Formula: C21H28O2 Molecular Weight (g/mol): 312.453 MDL Number: MFCD00003656 InChI Key: CHNXZKVNWQUJIB-SJFWLOONSA-N Synonym: 17-hydroxypregna-4-ene-20-yne-3-one, ksc587g1r, pregn-4-en-20-yn-3-one, 17-hydroxy-, 17a PubChem CID: 12016247 IUPAC Name: (8R,9S,10R,13S,14S,17S)-17-ethynyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one SMILES: CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C#C)O)C

CAS: 5949-05-3 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.25 MDL Number: MFCD00075588 InChI Key: NEHNMFOYXAPHSD-JTQLQIEISA-N Synonym: --citronellal, 3s---citronellal, 3s-3,7-dimethyl-6-octenal, 3s-3,7-dimethyloct-6-enal, 6-octenal, 3,7-dimethyl-, 3s, s---3,7-dimethyl-6-octenal, s---citronellal, s-3,7-dimethyl-6-octenal, s-3,7-dimethyloct-6-enal, s-citronellal PubChem CID: 443157 ChEBI: CHEBI:368 IUPAC Name: (3S)-3,7-dimethyloct-6-enal SMILES: CC(CCC=C(C)C)CC=O

CAS: 75507-68-5 Molecular Formula: C19H21FN4O6 Molecular Weight (g/mol): 420.397 MDL Number: MFCD00941415 InChI Key: DPYIXBFZUMCMJM-BTJKTKAUSA-N Synonym: 0vci53pk4a, ethyl 2-amino-6-p-fluorobenzyl amino-3-pyridinecarbamate maleate 1:1, ethyl-n-2-amino-6-4-fluorophenylmethylamino pyridin-3-yl carbamate maleate, flupirtin-maleat german, flupirtine maleate, flupirtine maleate salt, flupirtine maleate usan, katadolon, unii-0vci53pk4a PubChem CID: 6435335 IUPAC Name: (Z)-but-2-enedioic acid;ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-3-yl]carbamate SMILES: CCOC(=O)NC1=C(N=C(C=C1)NCC2=CC=C(C=C2)F)N.C(=CC(=O)O)C(=O)O

CAS: 58-95-7 Molecular Formula: C31H52O3 Molecular Weight (g/mol): 472.754 InChI Key: ZAKOWWREFLAJOT-CEFNRUSXSA-N Synonym: alfacol, alpha-tocopherol acetate, contopheron, d-alpha-tocopherol acetate, ecofrol, econ, ephynal acetate, tocopherol acetate, tofaxin, vitamin e acetate PubChem CID: 86472 ChEBI: CHEBI:32321 IUPAC Name: [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] acetate SMILES: CC1=C2C(=C(C(=C1C)OC(=O)C)C)CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C

CAS: 50-02-2 Molecular Formula: C22H29FO5 Molecular Weight (g/mol): 392.467 MDL Number: MFCD00064136 InChI Key: UREBDLICKHMUKA-CXSFZGCWSA-N Synonym: decadron, decaspray, desametasone, dexacort, dexamethasone, dexamethazone, dexasone, hexadecadrol, hexadrol, maxidex PubChem CID: 5743 ChEBI: CHEBI:41879 IUPAC Name: (8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one SMILES: CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C

CAS: 28393-02-4 Molecular Formula: C22H34O4 Molecular Weight (g/mol): 362.51 MDL Number: MFCD00078306 InChI Key: XCUAGNLOPZWTEH-UHFFFAOYSA-N Synonym: 10,12-docasadiyndioic acid, 10,12-docosadiyndioic acid, 10,12-docosadiynedioic acid, 10,12-docosadiynedioic acid #, 10,12-docosadiynedioicacid, acmc-20aozt, icosa-9,11-diyne-1,20-dicarboxylic acid PubChem CID: 544138 IUPAC Name: docosa-10,12-diynedioic acid SMILES: C(CCCCC(=O)O)CCCC#CC#CCCCCCCCCC(=O)O