CAS: 4995-91-9 Molecular Formula: C8H16NiO2 Molecular Weight (g/mol): 202.907 MDL Number: MFCD00064239 InChI Key: ANYMYNDNCKURBB-UHFFFAOYSA-N Synonym: octanoic acid, nickel 2+ salt, caprylic acid, nickel ii salt, nickel octoate, nickel 2+ caprylate, nickel dioctanoate PubChem CID: 54611835 IUPAC Name: nickel;octanoic acid SMILES: CCCCCCCC(=O)O.[Ni]

CAS: 629-25-4 Molecular Formula: C12H23NaO2 Molecular Weight (g/mol): 222.30 MDL Number: MFCD00041754 InChI Key: BTURAGWYSMTVOW-UHFFFAOYSA-M Synonym: epa pesticide chemical code 079026, unii-k146mr5exo, caswell no. 778a, lauran sodny czech, dodecanoic acid sodium salt, lauric acid, sodium salt, dodecanoic acid, sodium salt, lauric acid sodium salt, sodium laurate, sodium dodecanoate PubChem CID: 2735067 IUPAC Name: sodium;dodecanoate SMILES: [Na+].CCCCCCCCCCCC([O-])=O

CAS: 110-44-1 Molecular Formula: C6H8O2 Molecular Weight (g/mol): 112.13 MDL Number: MFCD00002703 InChI Key: WSWCOQWTEOXDQX-MQQKCMAXSA-N Synonym: e,e-2,4-hexadienoic acid, hexadienoic acid, sorbistat, trans,trans-sorbic acid, 2-propenylacrylic acid, panosorb, 2e,4e-hexadienoic acid, 2e,4e-hexa-2,4-dienoic acid, 2,4-hexadienoic acid, sorbic acid PubChem CID: 643460 ChEBI: CHEBI:38358 IUPAC Name: (2E,4E)-hexa-2,4-dienoic acid SMILES: C\C=C\C=C\C(O)=O

CAS: 2216-51-5 Molecular Formula: C₁₀H₂₀O Molecular Weight (g/mol): 156.27 MDL Number: MFCD00062979 InChI Key: NOOLISFMXDJSKH-KXUCPTDWSA-N Synonym: u.s.p. menthol, 1r,2s,5r-2-isopropyl-5-methylcyclohexanol, peppermint camphor, menthacamphor, hexahydrothymol, l---menthol, menthomenthol, levomenthol, --menthol, l-menthol PubChem CID: 16666 ChEBI: CHEBI:15409 IUPAC Name: (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol SMILES: CC1CCC(C(C1)O)C(C)C

CAS: 7786-67-6 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.25 MDL Number: MFCD00134655 InChI Key: ZYTMANIQRDEHIO-UHFFFAOYNA-N Synonym: 5-methyl-2-prop-1-en-2-yl cyclohexan-1-ol, 5-methyl-2-1-methylvinyl cyclohexan-1-ol, p-8 9-menthen-3-ol, dl-isopulegol, 1-methyl-4-isopropenylcyclohexan-3-ol, cyclohexanol, 5-methyl-2-1-methylethenyl, 5-methyl-2-prop-1-en-2-yl cyclohexanol, 8 9-p-menthen-3-ol, isopulegol, p-menth-8-en-3-ol PubChem CID: 24585 IUPAC Name: 5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol SMILES: CC1CCC(C(O)C1)C(C)=C

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

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

CAS: 502-47-6 Molecular Formula: C10H18O2 Molecular Weight (g/mol): 170.25 MDL Number: MFCD00002728 InChI Key: GJWSUKYXUMVMGX-UHFFFAOYNA-N Synonym: acmc-20apjr, callitrol, citronellicacid, fema no. 3142, 6-octenoic acid, 3,7-dimethyl, rhodinic acid, citronellate, rhodinolic acid, 3,7-dimethyl-6-octenoic acid, citronellic acid PubChem CID: 10402 ChEBI: CHEBI:80507 IUPAC Name: 3,7-dimethyloct-6-enoic acid SMILES: CC(CCC=C(C)C)CC(O)=O

CAS: 80-58-0 Molecular Formula: C4H7BrO2 Molecular Weight (g/mol): 167.00 MDL Number: MFCD00004216,MFCD00210111,MFCD00210112 InChI Key: YAQLSKVCTLCIIE-UHFFFAOYNA-N Synonym: bromobutyric acid, butyric acid, alpha-bromo, a-bromobutyric acid, dl-2-bromobutyric acid, butyric acid, .alpha.-bromo, .alpha.-bromobytyric acid, butyric acid, 2-bromo, butanoic acid, 2-bromo, alpha-bromobutyric acid, 2-bromobutyric acid PubChem CID: 6655 IUPAC Name: 2-bromobutanoic acid SMILES: CCC(Br)C(O)=O

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: 60-33-3 Molecular Formula: C₁₈H₃₂O₂ Molecular Weight (g/mol): 280.45 InChI Key: OYHQOLUKZRVURQ-HZJYTTRNSA-N Synonym: 9z,12z-linoleic acid, cis-9,cis-12-octadecadienoic acid, cis,cis-9,12-octadecadienoic acid, grape seed oil, linoleate, 9z,12z-octadeca-9,12-dienoic acid, cis,cis-linoleic acid, telfairic acid, linolic acid, linoleic acid PubChem CID: 5280450 ChEBI: CHEBI:17351 IUPAC Name: (9Z,12Z)-octadeca-9,12-dienoic acid SMILES: CCCCCC=CCC=CCCCCCCCC(=O)O

CAS: 112-38-9 Molecular Formula: C₁₁H₂₀O₂ Molecular Weight (g/mol): 184.28 MDL Number: MFCD00004442 InChI Key: FRPZMMHWLSIFAZ-UHFFFAOYSA-N Synonym: undecyl-10-enic acid, 9-undecylenic acid, 10-undecylenic acid, sevinon, declid, renselin, 10-hendecenoic acid, desenex, undecylenic acid, 10-undecenoic acid PubChem CID: 5634 ChEBI: CHEBI:35045 IUPAC Name: undec-10-enoic acid SMILES: C=CCCCCCCCCC(=O)O

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: 73482-96-9 Molecular Formula: C32H60O8Rh2 Molecular Weight (g/mol): 778.635 MDL Number: MFCD00064724 InChI Key: FZXFNYFVNKTQSX-UHFFFAOYSA-J Synonym: chloro 1,2,3-eta-3-phenyl-2-propenyl 1,3-bis 2,6-di-i-propylphenyl imidazol-2-ylidene palladium ii PubChem CID: 131858392 IUPAC Name: octanoate;rhodium(2+) SMILES: CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].[Rh+2].[Rh+2]

CAS: 53293-00-8 Molecular Formula: C₆H₈O₂ Molecular Weight (g/mol): 112.13 MDL Number: MFCD00066346 InChI Key: VPFMEXRVUOPYRG-UHFFFAOYSA-N Synonym: acmc-1an4h, 4-ethynylbutyric acid, 5-hexyn-1-oic acid, 5-hexynoic acid PubChem CID: 143036 ChEBI: CHEBI:73511 IUPAC Name: hex-5-ynoic acid SMILES: C#CCCCC(=O)O

CAS: 111-27-3 Molecular Formula: C6H14O Molecular Weight (g/mol): 102.177 MDL Number: MFCD00002982 InChI Key: ZSIAUFGUXNUGDI-UHFFFAOYSA-N Synonym: pentylcarbinol, caproyl alcohol, amylcarbinol, 1-hydroxyhexane, 1-hexyl alcohol, n-hexyl alcohol, n-hexanol, hexanol, hexyl alcohol, 1-hexanol PubChem CID: 8103 ChEBI: CHEBI:87393 IUPAC Name: hexan-1-ol SMILES: CCCCCCO

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: 106-23-0 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.25 MDL Number: MFCD00038090 InChI Key: NEHNMFOYXAPHSD-SNVBAGLBSA-N Synonym: d-rhodinal, beta-citronellal, 3,7-dimethyl-6-octen-1-al, citronella, citronellel, 6-octenal, 3,7-dimethyl, 2,3-dihydrocitral, 3,7-dimethyl-6-octenal, rhodinal, citronellal PubChem CID: 7794 ChEBI: CHEBI:47856 IUPAC Name: 3,7-dimethyloct-6-enal SMILES: C[C@H](CCC=C(C)C)CC=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

CAS: 111-01-3 InChI Key: PRAKJMSDJKAYCZ-UHFFFAOYSA-N Synonym: hexamethyl tetracosane, tetracosane, 2,6,10,15,19,23-hexamethyl, hexamethyltetracosane, robane, spinacane, vitabiosol, cosbiol, dodecahydrosqualene, perhydrosqualene, squalane PubChem CID: 8089 IUPAC Name: 2,6,10,15,19,23-hexamethyltetracosane SMILES: CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C

CAS: 106-24-1 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.253 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: 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: 1592-23-0 Molecular Formula: C36H70CaO4 Molecular Weight (g/mol): 607.03 MDL Number: MFCD00036390 InChI Key: CJZGTCYPCWQAJB-UHFFFAOYSA-L Synonym: stearates, stavinor 30, flexichem cs, calstar, aquacal, octadecanoic acid, calcium salt, calcium distearate, flexichem, calcium octadecanoate, calcium stearate PubChem CID: 15324 IUPAC Name: calcium;octadecanoate SMILES: CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Ca+2]

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

CAS: 105-45-3 Molecular Formula: C5H8O3 Molecular Weight (g/mol): 116.12 MDL Number: MFCD00008784 InChI Key: WRQNANDWMGAFTP-UHFFFAOYSA-N Synonym: acetoacetic acid, methyl ester, acetoacetic methyl ester, 3-oxobutanoic acid methyl ester, methyl acetylacetonate, methyl acetylacetate, butanoic acid, 3-oxo-, methyl ester, methyl 3-oxobutyrate, methylacetoacetate, acetoacetic acid methyl ester, methyl acetoacetate PubChem CID: 7757 IUPAC Name: methyl 3-oxobutanoate SMILES: COC(=O)CC(C)=O

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: 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: 1196-01-6 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.22 MDL Number: MFCD00001343 InChI Key: DCSCXTJOXBUFGB-JGVFFNPUSA-N Synonym: bicyclo 3.1.1 hept-3-en-2-one, 4,6,6-trimethyl-, 1s,5s, verbenone, l, 1s,5s-4,6,6-trimethylbicyclo 3.1.1 hept-3-en-2-one, unii-2xp0j7754u, verbenone, --2-pinen-4-one, 1s---verbenone, l-verbenone, --verbenone, levoverbenone PubChem CID: 92874 ChEBI: CHEBI:78316 IUPAC Name: (1S,5S)-2,6,6-trimethylbicyclo[3.1.1]hept-2-en-4-one SMILES: CC1=CC(=O)[C@H]2C[C@@H]1C2(C)C

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: 50-23-7 Molecular Formula: C₂₁H₃₀O₅ Molecular Weight (g/mol): 362.47 MDL Number: MFCD00011654 InChI Key: JYGXADMDTFJGBT-VWUMJDOOSA-N Synonym: cortril, cobadex, hydrasson, hydrocortisyl, 17-hydroxycorticosterone, cortef, cetacort, acticort, cortisol, hydrocortisone PubChem CID: 5754 ChEBI: CHEBI:17650 IUPAC Name: (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one SMILES: CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O