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

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: 122-32-7 Molecular Formula: C57H104O6 Molecular Weight (g/mol): 885.453 MDL Number: MFCD00137563 InChI Key: PHYFQTYBJUILEZ-BSCDBXJPSA-N Synonym: glycerin trioleate, olein, trioleoylglyceride, oleic acid triglyceride, glycerol triolein, trioleoylglycerol, oleic triglyceride, glyceryl trioleate, glycerol trioleate, triolein PubChem CID: 45253964 IUPAC Name: [2-[(Z)-octadec-9-enoyl]oxy-3-[(E)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC

CAS: 2212-75-1 Molecular Formula: C14H20N2O4 Molecular Weight (g/mol): 280.32 MDL Number: MFCD00038204 InChI Key: OJTJKAUNOLVMDX-LBPRGKRZSA-N Synonym: lysine, n2-phenylmethoxy carbonyl, n-alpha-benzyloxycarbonyl-l-lysine, cbz-l-lysine, z-lysine, s-6-amino-2-benzyloxy carbonyl amino hexanoic acid, n-alpha-carbobenzoxy-l-lysine, cbz-lys-oh, n-alpha-cbz-l-lysine, nalpha-cbz-l-lysine, z-lys-oh PubChem CID: 75172 IUPAC Name: (2S)-6-amino-2-(phenylmethoxycarbonylamino)hexanoic acid SMILES: NCCCC[C@H](NC(=O)OCC1=CC=CC=C1)C(O)=O

CAS: 125-20-2 Molecular Formula: C28H30O4 Molecular Weight (g/mol): 430.544 MDL Number: MFCD00005909 InChI Key: LDKDGDIWEUUXSH-UHFFFAOYSA-N Synonym: TP 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: 98-55-5 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.253 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: 5104-49-4 Molecular Formula: C15H13FO2 Molecular Weight (g/mol): 244.27 MDL Number: MFCD00079303 InChI Key: SYTBZMRGLBWNTM-UHFFFAOYNA-N Synonym: flurbiprofenum, flurbiprofeno, flurbiprofene, anside, flurofen, cebutid, antadys, froben, ansaid, flurbiprofen PubChem CID: 3394 ChEBI: CHEBI:5130 SMILES: CC(C(O)=O)C1=CC=C(C(F)=C1)C1=CC=CC=C1

CAS: 3302-10-1 Molecular Formula: C9H18O2 Molecular Weight (g/mol): 158.24 MDL Number: MFCD00020507 InChI Key: OILUAKBAMVLXGF-UHFFFAOYNA-N Synonym: 3,5,5 trimethylhexanoic acid, dsstox_gsid_29254, dsstox_rid_78735, 3,5-trimethylhexanoic acid, dsstox_cid_9254, acmc-1assi, unii-aw943q219o, 3,5,5-trimethylhexanoicacid, 3,5,5-trimethyl-hexanoic acid, hexanoic acid, 3,5,5-trimethyl PubChem CID: 90960 IUPAC Name: 3,5,5-trimethylhexanoic acid SMILES: CC(CC(=O)O)CC(C)(C)C

CAS: 57-11-4 Molecular Formula: C18H36O2 Molecular Weight (g/mol): 284.48 MDL Number: MFCD00002752 InChI Key: QIQXTHQIDYTFRH-UHFFFAOYSA-N Synonym: 1-heptadecanecarboxylic acid, vanicol, stearinsaeure, octadecansaeure, stearex beads, pearl stearic, cetylacetic acid, n-octadecanoic acid, stearophanic acid, stearic acid PubChem CID: 5281 ChEBI: CHEBI:28842 IUPAC Name: octadecanoic acid SMILES: CCCCCCCCCCCCCCCCCC(O)=O

CAS: 10458-14-7 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.253 MDL Number: MFCD00062998 InChI Key: NFLGAXVYCFJBMK-UHFFFAOYSA-N Synonym: 5-methyl-2-isopropyl cyclohexanone, p-menthan-3-one, dl, 2-isopropyl-5-methyl-cyclohexanone, p-menthanone, 5-methyl-2-1-methylethyl cyclohexanone, cyclohexanone, 5-methyl-2-1-methylethyl, menthone, 2-isopropyl-5-methylcyclohexanone, p-menthan-3-one, isomenthone PubChem CID: 6986 ChEBI: CHEBI:36742 IUPAC Name: 5-methyl-2-propan-2-ylcyclohexan-1-one SMILES: CC1CCC(C(=O)C1)C(C)C

CAS: 2051-18-5 Molecular Formula: C10H13Cl Molecular Weight (g/mol): 168.664 MDL Number: MFCD00018885 InChI Key: CYAKWEQUWJAHLW-UHFFFAOYSA-N Synonym: benzene, 1-chloromethyl-4-methylethyl, p-isopropyl benzyl chloride, 1-chloromethyl-4-propan-2-yl benzene, benzene, 1-chloromethyl-4-1-methylethyl, 4-isopropylbenzylchloride, 7-chloro-p-cymene, p-isopropylbenzyl chloride, p-cymene, 7-chloro, 1-chloromethyl-4-isopropylbenzene, 4-isopropylbenzyl chloride PubChem CID: 74916 IUPAC Name: 1-(chloromethyl)-4-propan-2-ylbenzene SMILES: CC(C)C1=CC=C(C=C1)CCl

CAS: 58917-26-3 Molecular Formula: C8H16O Molecular Weight (g/mol): 128.215 MDL Number: MFCD03093080 InChI Key: OHEFFKYYKJVVOX-QMMMGPOBSA-N Synonym: s-6-methyl-hept-5-en-2-ol, +-sulcatol, 5-hepten-2-ol, 6-methyl-, 2s, 6-methyl-5-hepten-2s-ol, s-+-6-methyl-5-hepten-2-ol, 2s-6-methyl-5-hepten-2-ol, 2s-6-methylhept-5-en-2-ol, s-6-methylhept-5-en-2-ol, s-sulcatol PubChem CID: 6971127 IUPAC Name: (2S)-6-methylhept-5-en-2-ol SMILES: CC(CCC=C(C)C)O

CAS: 106-69-4 Molecular Formula: C6H14O3 Molecular Weight (g/mol): 134.18 MDL Number: MFCD00002976 InChI Key: ZWVMLYRJXORSEP-UHFFFAOYNA-N Synonym: dsstox_cid_21224, acmc-1bsub, 1,6-trihydroxyhexane, hexane-1,6-triol, hexanetriol-1,6, 1,6-hexanetriol, hexanetriol-1,2,6, 1,2,6-trihydroxyhexane, 1,2,6-hexanetriol PubChem CID: 7823 IUPAC Name: hexane-1,2,6-triol SMILES: OCCCCC(O)CO

CAS: 5872-08-2 Molecular Formula: C10H16O4S Molecular Weight (g/mol): 232.29 MDL Number: MFCD00074827 InChI Key: MIOPJNTWMNEORI-UHFFFAOYNA-N Synonym: +-10-camphorsulfonic acid, l-camphor-10-sulfonic acid, 7,7-dimethyl-2-oxobicyclo 2.2.1 heptan-1-yl methanesulfonic acid, d-10-camphorsulfonic acid, 2-oxobornane-10-sulphonic acid, --10-camphorsulfonic acid, camphersulfosaeure, d-camphorsulfonic acid, camphorsulfonic acid, reychler's acid PubChem CID: 18462 ChEBI: CHEBI:55379 IUPAC Name: (7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonic acid SMILES: CC1(C2CCC1(C(=O)C2)CS(=O)(=O)O)C

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: 302-79-4 Molecular Formula: C20H28O2 Molecular Weight (g/mol): 300.44 MDL Number: MFCD00001551 InChI Key: SHGAZHPCJJPHSC-YCNIQYBTSA-N Synonym: atra, vesanoid, retin-a, airol, renova, trans-retinoic acid, all-trans-retinoic acid, vitamin a acid, tretinoin, retinoic acid 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

CAS: 1830-54-2 Molecular Formula: C7H10O5 Molecular Weight (g/mol): 174.15 MDL Number: MFCD00008462 InChI Key: RNJOKCPFLQMDEC-UHFFFAOYSA-N Synonym: dimethyl 3-oxopentane-1,5-dioate, pentanedioic acid, 3-oxo-, 1,5-dimethyl ester, glutaric acid, 3-oxo-, dimethyl ester, acetone dicarboxylic acid, dimethyl ester, dimethyl acetonedicarboxylate, pentanedioic acid, 3-oxo-, dimethyl ester, 1,5-dimethyl 3-oxopentanedioate, dimethyl 3-oxoglutarate, dimethyl acetone-1,3-dicarboxylate, dimethyl 1,3-acetonedicarboxylate PubChem CID: 74591 SMILES: COC(=O)CC(=O)CC(=O)OC

CAS: 112-62-9 Molecular Formula: C19H36O2 Molecular Weight (g/mol): 296.495 MDL Number: MFCD00009578 InChI Key: QYDYPVFESGNLHU-KHPPLWFESA-N Synonym: esterol 112, emery, oleic acid ester, exceparl m-ol, methyl-cis-oleate, methyl z-9-octadecenoate, edenor metio5, oleic acid, methyl ester, methyl cis-9-octadecenoate, oleic acid methyl ester, methyl oleate PubChem CID: 5364509 ChEBI: CHEBI:27542 IUPAC Name: methyl (Z)-octadec-9-enoate SMILES: CCCCCCCCC=CCCCCCCCC(=O)OC

CAS: 142-45-0 Molecular Formula: C4H2O4 Molecular Weight (g/mol): 114.06 MDL Number: MFCD00004362 InChI Key: YTIVTFGABIZHHX-UHFFFAOYSA-N Synonym: pubchem13735, acetylenedicarboxylicacid, hoocc=ccooh, acetylendicarboxylate, acetylenedicarboxylic acid 8ci, unii-2d2oj4ko44, acetylenedicarboxylate, butynedioic acid, 2-butynedioic acid, acetylenedicarboxylic acid PubChem CID: 371 ChEBI: CHEBI:30781 IUPAC Name: but-2-ynedioic acid SMILES: OC(=O)C#CC(O)=O

CAS: 112-79-8 Molecular Formula: C₁₈H₃₄O₂ Molecular Weight (g/mol): 282.46 InChI Key: ZQPPMHVWECSIRJ-MDZDMXLPSA-N Synonym: elaidinsaure, 9-octadecenoic acid, 9e, trans-elaidic acid, e-octadec-9-enoic acid, 9-octadecenoic acid, e, e-oleic acid, 9-octadecenoic acid, trans-9-octadecenoic acid, trans-oleic acid, elaidic acid PubChem CID: 637517 ChEBI: CHEBI:27997 IUPAC Name: (E)-octadec-9-enoic acid SMILES: CCCCCCCCC=CCCCCCCCC(=O)O

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

CAS: 345909-26-4 Molecular Formula: C26H44NNaO7S Molecular Weight (g/mol): 537.688 MDL Number: MFCD00150819 InChI Key: JAJWGJBVLPIOOH-VXFFEJGCSA-M Synonym: monosodium taurocholic acid, sodium n-choloyltaurinate, monosodium taurocholate, m6n3th81no, monosodium n-choloyltaurinate, unii-m6n3th81no, taurocholate sodium salt, taurocholate sodium, taurocholic acid sodium salt, sodium taurocholate 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: 74507-63-4 Molecular Formula: C20H30Ni Molecular Weight (g/mol): 329.153 MDL Number: MFCD00058704 InChI Key: CHPLEWYRKUFKQP-UHFFFAOYSA-N Synonym: Decamethylnickelocene PubChem CID: 24943158 IUPAC Name: nickel(2+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene SMILES: CC1=[C-]C(C(=C1C)C)(C)C.CC1=[C-]C(C(=C1C)C)(C)C.[Ni+2]

CAS: 693-23-2 Molecular Formula: C₁₂H₂₂O₄ Molecular Weight (g/mol): 230.3 MDL Number: MFCD00002735 InChI Key: TVIDDXQYHWJXFK-UHFFFAOYSA-N Synonym: n-dodecanedioate, dsstox_gsid_27297, dsstox_rid_78394, dsstox_cid_7297, unii-978yu42q6i, n-dodecanedioic acid, 1,10-dicarboxydecane, decamethylenedicarboxylic acid, 1,10-decanedicarboxylic acid, 1,12-dodecanedioic acid PubChem CID: 12736 ChEBI: CHEBI:4676 IUPAC Name: dodecanedioic acid SMILES: C(CCCCCC(=O)O)CCCCC(=O)O

CAS: 5524-05-0 Molecular Formula: C₁₀H₁₆O Molecular Weight (g/mol): 152.24 MDL Number: MFCD00001636 InChI Key: AZOCECCLWFDTAP-RKDXNWHRSA-N Synonym: cyclohexanone, 2-methyl-5-1-methylethenyl-, 2r,5r, 2r,5r-2-methyl-5-prop-1-en-2-yl cyclohexanone, 2r,5r-5-isopropenyl-2-methylcyclohexanone, 2r,5r-2-methyl-5-isopropenylcyclohexanone, 2r-trans-2-methyl-5-1-methylvinyl cyclohexan-1-one, unii-vta43h364z, e-dihydrocarvone, 1r,4r-dihydrocarvone, d-dihydrocarvone, +-dihydrocarvone PubChem CID: 22227 ChEBI: CHEBI:154 IUPAC Name: (2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one SMILES: CC1CCC(CC1=O)C(=C)C

CAS: 45121-22-0 Molecular Formula: C9H17NO4 Molecular Weight (g/mol): 203.238 MDL Number: MFCD00270335 InChI Key: PNFVIPIQXAIUAY-ZCFIWIBFSA-N Synonym: 2-r-tert-butoxycarbonylaminobutyric acid, butanoic acid, 2-1,1-dimethylethoxy carbonyl amino-, 2r, 2r-2-tert-butoxy carbonyl amino butanoic acid, 2r-2-tert-butoxycarbonyl amino butanoic acid, boc-d-2-aminobutyric acid, boc-r-2-aminobutyric acid, boc-d-alpha-aminobutyric acid, r-n-boc-2-aminobutyric acid, r-2-tert-butoxycarbonyl amino butanoic acid, boc-d-abu-oh PubChem CID: 2755936 IUPAC Name: (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid SMILES: CCC(C(=O)O)NC(=O)OC(C)(C)C

CAS: 821-41-0 Molecular Formula: C6H12O Molecular Weight (g/mol): 100.161 MDL Number: MFCD00002981 InChI Key: UIZVMOZAXAMASY-UHFFFAOYSA-N Synonym: ho ch2 4ch=ch2, acmc-209pn9, hex-1-en-6-ol, 5-hexanol, 5-hexene-1-ol, unii-57pd1rf6g7, 5-hexenol, 1-hexen-6-ol, 5-hexen-1-ol PubChem CID: 69963 IUPAC Name: hex-5-en-1-ol SMILES: C=CCCCCO