anonymous041/ChEBI-Augmented huggingface dataset:
The molecule [H][C@]12[C@@H](C)CCCCCCC[C@@]34O[C@@H]5[C@]6([H])[C@]7([H])O[C@]7(CO)[C@@H](O)[C@](O)(C(=O)[C@H]1C)[C@]2([H])[C@@]6(O3)[C@H](C)[C@@H](OC(C)=O)[C@@]5(O4)C(C)=C [H][C@]12[C@@H](C)CCCCCCC[C@@]34O[C@@H]5[C@]6([H])[C@]7([H])O[C@]7(CO)[C@@H](O)[C@](O)(C(=O)[C@H]1C)[C@]2([H])[C@@]6(O3)[C@H](C)[C@@H](OC(C)=O)[C@@]5(O4)C(C)=C is rel-1,2-Dihydro-5-hydroxy-9'S-methyl-6alpha,7alpha-epoxy-12beta-acetoxy-9,13,14-ortho-1alpha-decenoate-resiniferonol-10'-oic acid. It has the role of metabolite . It is also related to or classified as diterpenoid  .
The molecule OC(=O)CCc1ccccc1C(F)(F)F OC(=O)CCc1ccccc1C(F)(F)F is A monocarboxylic acid comprising propionic acid having a 2-(trifluoromethyl)phenyl group at the 3-position. Its functional parent is propionic acid . It is also related to or classified as monocarboxylic acid , (trifluoromethyl)benzenes .
The molecule C(C(=O)C[NH3+])CC(=O)O C(C(=O)C[NH3+])CC(=O)O is A primary ammonium ion obtained by protonation of the amino group of 5-aminolevulinic acid. It is a conjugate acid of 5-aminolevulinic acid . It is also related to or classified as primary ammonium ion  .
The molecule CC1(C)[C@@H]2C[C@@H](O)[C@@]1(C)C(=O)C2 CC1(C)[C@@H]2C[C@@H](O)[C@@]1(C)C(=O)C2 is A 6-hydroxycamphor that is (+)-camphor bearing a 6-endo-hydroxy substituent. It is also related to or classified as 6-hydroxycamphor  .
The molecule CC[C@H](C)C(=O)O[C@@H]1CC[C@]2(CO2)[C@]3([C@H]1[C@@]([C@@H](C[C@@H]3OC(=O)C)C)(C)C[C@@H](C4=CC(=O)OC4)OC(=O)/C(=C/C)/C)COC(=O)C is a diterpene lactone isolated from the whole plants of Ajuga ciliata. It has a role as a plant metabolite. It is a butenolide, a diterpene lactone, an acetate ester and a spiro-epoxide.
The molecule C[C@H]1C[C@@]2(OC(=O)\C=C\c3ccccc3)[C@H]([C@H]1O)[C@@H](O)C(=C)CC[C@H]1[C@@H](\C=C(C)\C2=O)C1(C)C C[C@H]1C[C@@]2(OC(=O)\C=C\c3ccccc3)[C@H]([C@H]1O)[C@@H](O)C(=C)CC[C@H]1[C@@H](\C=C(C)\C2=O)C1(C)C is A lathyrane diterpenoid isolated from the roots of  Euphorbia micractina. It is also related to or classified as cinnamate ester , lathyrane diterpenoid .
The molecule CCCC(=O)OC[C@H](COP(=O)([O-])OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC(=O)CCC is a 1-phosphatidyl-1D-myo-inositol(1-) that is the conjugate base of 1,2-dibutyryl-sn-glycero-3-phospho-1D-myo-inositol, obtained by deprotonation of the phosphate OH group; major species at pH 7.3. It is a conjugate base of a 1,2-dibutyryl-sn-glycero-3-phospho-(1'D-myo-inositol).
The molecule [H][C@]12[C@H](C)CCCCCCC[C@@]34O[C@@H]5[C@]6([H])[C@]7([H])O[C@]7(CO)[C@@H](O)[C@](O)(C(=O)[C@H]1C)[C@]2([H])[C@@]6(O3)[C@H](C)[C@@H](OC(C)=O)[C@@]5(O4)C(C)=C [H][C@]12[C@H](C)CCCCCCC[C@@]34O[C@@H]5[C@]6([H])[C@]7([H])O[C@]7(CO)[C@@H](O)[C@](O)(C(=O)[C@H]1C)[C@]2([H])[C@@]6(O3)[C@H](C)[C@@H](OC(C)=O)[C@@]5(O4)C(C)=C is rel-1,2-Dihydro-5-hydroxy-9'R-methyl-6alpha,7alpha-epoxy-12beta-acetoxy-9,13,14-ortho-1alpha-decenoate-resiniferonol-10'-oic acid. It has the role of metabolite . It is also related to or classified as diterpenoid  .
The molecule OC(=O)\C=C\c1cccc(c1)[N+]([O-])=O OC(=O)\C=C\c1cccc(c1)[N+]([O-])=O is A C-nitro compound comprising trans-cinnamic acid having a nitro group at position 3 on the phenyl ring. Its functional parent is trans-cinnamic acid . It is also related to or classified as C-nitro compound .
The molecule CC1(C)[C@@H]2C[C@H](O)[C@@]1(C)C(=O)C2 CC1(C)[C@@H]2C[C@H](O)[C@@]1(C)C(=O)C2 is A 6-hydroxycamphor that is (+)-camphor bearing a 6-exo-hydroxy substituent. It is also related to or classified as 6-hydroxycamphor  .
The molecule C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C(=C3N)O)S(=O)(=O)[O-])O.[Na+] is an organic sodium salt that is the monosodium salt of 4-amino-1,3-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid. It forms bright red lakes with calcium and is a useful red nuclear staining lake with aluminum. It has a role as a histological dye and a fluorochrome. It contains a nuclear fast red(1-).
The molecule C[C@H]1C[C@@]2(OC(=O)\C=C\c3ccccc3)[C@H]([C@H]1OC(C)=C)[C@@H](OC(C)=C)\C(C)=C/C[C@H]1[C@@H](\C=C(C)\C2=O)C1(C)C C[C@H]1C[C@@]2(OC(=O)\C=C\c3ccccc3)[C@H]([C@H]1OC(C)=C)[C@@H](OC(C)=C)\C(C)=C/C[C@H]1[C@@H](\C=C(C)\C2=O)C1(C)C is A lathyrane diterpenoid isolated from the roots of Euphorbia micractina. It is also related to or classified as cinnamate ester , lathyrane diterpenoid .
The molecule C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC4[C@@H]([C@@H]([C@H](O4)CO)O)O)O)OP(=O)(O)O)N is an ADP-aldose. It has a role as a mouse metabolite. It derives from a D-ribofuranosyl-ADP. It is a conjugate acid of an ADP-D-ribose 2'-phosphate(4-).
The molecule [H][C@@]12O[C@]1(CO)[C@@H](O)[C@]1(O)C(=O)C(C)=C[C@@]1([H])[C@@]1(O)[C@H](C)C[C@]3(OC(=O)\C=C\C=C/CCCCCCCCC)[C@]([H])([C@]21[H])C3(C)C [H][C@@]12O[C@]1(CO)[C@@H](O)[C@]1(O)C(=O)C(C)=C[C@@]1([H])[C@@]1(O)[C@H](C)C[C@]3(OC(=O)\C=C\C=C/CCCCCCCCC)[C@]([H])([C@]21[H])C3(C)C is 6alpha,7alpha-Epoxy-4beta,5beta,9alpha,20-tetrahydroxy-13alpha-(2E,4E)-tetradeca-2,4-dienoyl-1-tiglien-3-one. It has the role of metabolite . It is also related to or classified as monoterpenoid .
The molecule OC(=O)\C=C\c1ccc(cc1)C(F)(F)F OC(=O)\C=C\c1ccc(cc1)C(F)(F)F is A member of the class of  (trifluoromethyl)benzenes consisting of trans-cinnamic acid having a trifluoromethyl substituent at the para-position. Its functional parent is trans-cinnamic acid . It is also related to or classified as cinnamic acids , (trifluoromethyl)benzenes .
The molecule CC(=CCC1=C(C2=C(C3=C1OC(C=C3)(C)C)O[C@@H](CC2=O)C4=CC(=C(C=C4)OC)OC)O)C is an extended flavonoid that consists of (2S)-flavanone substituted by a hydroxy group at position 5, methoxy groups at positions 3' and 4' , a prenyl group at position 6 and a gem-dimethylpyran ring fused across positions 7 and 8. Isolated from Lonchocarpus utilis and Lonchocarpus urucu, it acts as a NADH:ubiquinone reductase inhibitor. It has a role as an EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor and a plant metabolite. It is an extended flavonoid, a dimethoxyflavanone, a monohydroxyflavanone, a pyranochromane, a member of 4'-methoxyflavanones and a member of 3'-methoxyflavanones.
The molecule CC1=CC(=O)O[C@H](CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP([O-])([O-])=O)n2cnc3c(N)ncnc23)C1(C)C CC1=CC(=O)O[C@H](CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP([O-])([O-])=O)n2cnc3c(N)ncnc23)C1(C)C is an acyl-CoA(4-) oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of [(2R)-3,3,4-trimethyl-6-oxo-3,6-dihydro-1H-pyran-2-yl]acetyl-CoA; major species at pH 7.3. It is also related to or classified as acyl-CoA(4-)  .
The molecule C1(=CC=C(N=C1)OC2=CC=C(C=C2)O[C@@H](C(OCCCC)=O)C)C(F)(F)F C1(=CC=C(N=C1)OC2=CC=C(C=C2)O[C@@H](C(OCCCC)=O)C)C(F)(F)F is A butyl 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate that has R configutation. The active enantiomer of the herbicide fluazifop-butyl, it is used as a post-emergence herbicide for the control grass weeds in various broad-leaved crops. It has the role of herbicide . It has the role of agrochemical . It has the role of EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor . Its functional parent is fluazifop-P . It is also related to or classified as butyl 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate  .
The molecule C[C@H]1C[C@@]2(OC(=O)c3ccccc3)[C@H]([C@H]1O)[C@@H](OC(C)=O)\C(C)=C/C[C@H]1[C@@H](\C=C(C)\C2=O)C1(C)C C[C@H]1C[C@@]2(OC(=O)c3ccccc3)[C@H]([C@H]1O)[C@@H](OC(C)=O)\C(C)=C/C[C@H]1[C@@H](\C=C(C)\C2=O)C1(C)C is A lathyrane diterpenoid isolated from the roots of Euphorbia micractina. It has the role of vasodilator agent .  It is also related to or classified as acetate ester  . It is also related to or classified as benzoate ester , lathyrane diterpenoid .
The molecule C/C/1=C\\CC/C(=C/[C@@H](C[C@](/C=C/[C@@H](CC1)C(C)C)(C)O)O)/C is a cembrane diterpenoid obtained from tobacco and shown to have antitumour-promoting activity. It has a role as an antineoplastic agent.
The molecule [H][C@@]12O[C@]1(CO)[C@@H](O)[C@]1(O)C(=O)C(C)=C[C@@]1([H])[C@@]1(O)[C@H](C)C[C@]3(OC(=O)CCCCCCCCC)[C@]([H])([C@]21[H])C3(C)C [H][C@@]12O[C@]1(CO)[C@@H](O)[C@]1(O)C(=O)C(C)=C[C@@]1([H])[C@@]1(O)[C@H](C)C[C@]3(OC(=O)CCCCCCCCC)[C@]([H])([C@]21[H])C3(C)C is rel-6alpha,7alpha-Epoxy-5beta-hydroxy-12-deoxyphorbol-13-decanoate. It has the role of metabolite . It is also related to or classified as monoterpenoid .
The molecule OC(=O)\C=C\c1cccc(c1)C(F)(F)F OC(=O)\C=C\c1cccc(c1)C(F)(F)F is A member of the class of   (trifluoromethyl)benzenes consisting of trans-cinnamic acid having a trifluoromethyl substituent at the meta-position. Its functional parent is trans-cinnamic acid . It is also related to or classified as cinnamic acids , styrenes , (trifluoromethyl)benzenes .
The molecule O=C1N=C(NC=2NC=NC21)NC O=C1N=C(NC=2NC=NC21)NC is A methylguanine in which the methyl group is located at the N2-position. It has the role of human metabolite . It is also related to or classified as methylguanine , secondary amino compound .
The molecule CC1=CC(=O)[C@H](CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP([O-])([O-])=O)n2cnc3c(N)ncnc23)C1(C)C CC1=CC(=O)[C@H](CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP([O-])([O-])=O)n2cnc3c(N)ncnc23)C1(C)C is the acyl-CoA oxoanion resulting from the removal of all four protons from the phosphate groups of [(1R)-2,2,3-trimethyl-5-oxocyclopent-3-enyl]acetyl-CoA. Major species at pH 7.3. It is also related to or classified as acyl-CoA(4-)  .
The molecule CC/C=C\\C/C=C\\C[C@@H]([C@@H](/C=C/C=C/C=C\\C/C=C\\CCC(=O)[O-])SC[C@@H](C(=O)NCC(=O)[O-])NC(=O)CC[C@@H](C(=O)[O-])[NH3+])O is a docosanoid anion obtained by deprotonation of the three carboxy groups and protonation of the glutamyl alpha-amino group of (13R)-S-glutathionyl-(14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid; major species at pH 7.3. It is a docosanoid anion and a peptide anion. It is a conjugate base of a (13R)-S-glutathionyl-(14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid.
The molecule C[C@H]1C[C@@]2(OC(=O)c3ccccc3)[C@H]([C@H]1OC(C)=O)[C@@H](O)\C(C)=C/C[C@H]1[C@@H](\C=C(C)\C2=O)C1(C)C C[C@H]1C[C@@]2(OC(=O)c3ccccc3)[C@H]([C@H]1OC(C)=O)[C@@H](O)\C(C)=C/C[C@H]1[C@@H](\C=C(C)\C2=O)C1(C)C is A lathyrane diterpenoid isolated from the roots of Euphorbia micractina. It has the role of vasodilator agent .  It is also related to or classified as acetate ester  . It is also related to or classified as benzoate ester , lathyrane diterpenoid .
The molecule C1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O is a UDP-sugar having alpha-xylose as the sugar component. It is an important metabolite in the nucleotide sugar metabolism in animals, plants, fungi, and bacteria. It has a role as a fundamental metabolite. It is a conjugate acid of an UDP-alpha-D-xylose(2-).
The molecule [H][C@@]12C=C(CO)C[C@]3(O)C(=O)C(C)=C[C@@]3([H])[C@@]1(O)[C@H](C)[C@@H](OC(=O)CCCCCCCCC)[C@]1(OC(C)=O)[C@@]2([H])C1(C)C [H][C@@]12C=C(CO)C[C@]3(O)C(=O)C(C)=C[C@@]3([H])[C@@]1(O)[C@H](C)[C@@H](OC(=O)CCCCCCCCC)[C@]1(OC(C)=O)[C@@]2([H])C1(C)C is 12-O-Decanoylphorbol-13-acetate. It has the role of metabolite . It is also related to or classified as phorbol ester .
The molecule OC(=O)\C=C\c1ccccc1C(F)(F)F OC(=O)\C=C\c1ccccc1C(F)(F)F is A member of the class of (trifluoromethyl)benzenes consisting of trans-cinnamic acid having a trifluoromethyl substituent at the ortho-position. Its functional parent is trans-cinnamic acid . It is also related to or classified as cinnamic acids , (trifluoromethyl)benzenes .
The molecule [O-]Cl(=O)(=O)=O.[H]C(=C([H])c1oc2ccccc2[n+]1CCCCCCCCCCCCCCCCCC)C([H])=C1Oc2ccccc2N1CCCCCCCCCCCCCCCCCC [O-]Cl(=O)(=O)=O.[H]C(=C([H])c1oc2ccccc2[n+]1CCCCCCCCCCCCCCCCCC)C([H])=C1Oc2ccccc2N1CCCCCCCCCCCCCCCCCC is diOC18(3) dye. It has the role of fluorochrome . It is also related to or classified as Cy3 dye  . It is also related to or classified as 1,3-benzoxazoles , organic perchlorate salt .
The molecule CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COC[C@H](O)COP([O-])([O-])=O CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COC[C@H](O)COP([O-])([O-])=O is an anionic phospholipid obtained by deprotonation of both phosphate OH groups of 3-heptaprenyl-sn-glycero-1-phosphate; major species at pH 7.3. It is also related to or classified as anionic phospholipid .
The molecule CC(NC(C([O-])=O)CCSC)=O CC(NC(C([O-])=O)CCSC)=O is A monocarboxylic acid anion that is the conjugate base of N-acetylmethionine, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as monocarboxylic acid anion  .
The molecule [H]O[H].[H]O[H].[H]O[H].[H][C@]12[C@@H](C)C(S[C@@H]3CN[C@@H](C3)C(=O)N(C)C)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O [H]O[H].[H]O[H].[H]O[H].[H][C@]12[C@@H](C)C(S[C@@H]3CN[C@@H](C3)C(=O)N(C)C)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O is meropenem trihydrate. It has the role of antibacterial drug . It is also related to or classified as hydrate .
The molecule C[C@H]1[C@@H](C[C@H]([C@@H](O1)OCCCCCCCCCCCC(=O)[O-])O)O is a hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#20, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of an oscr#20.
The molecule [H][C@@]12C=C(CO)C[C@]3(O)C(=O)C(C)=C[C@@]3([H])[C@@]1(O)[C@H](C)[C@@H](OC(=O)CCCCCCC)[C@]1(OC(C)=O)[C@@]2([H])C1(C)C [H][C@@]12C=C(CO)C[C@]3(O)C(=O)C(C)=C[C@@]3([H])[C@@]1(O)[C@H](C)[C@@H](OC(=O)CCCCCCC)[C@]1(OC(C)=O)[C@@]2([H])C1(C)C is rel-12-O-Octanoylphorbol-13-acetate. It has the role of metabolite . It is also related to or classified as phorbol ester .
The molecule OC(=O)COCC(F)(F)F OC(=O)COCC(F)(F)F is an organofluorine compound consisting of acetic acid carrying a 2-(2,2,2-trifluoroethoxy) substituent. Its functional parent is acetic acid . It is also related to or classified as organofluorine compound  .
The molecule NC1=[NH+][C@@H](CS1)C([O-])=O NC1=[NH+][C@@H](CS1)C([O-])=O is A 2-amino-Delta(2)-thiazoline-4-carboxylic acid zwitterion that has R-configuration. The major species at pH 7.3. It is also related to or classified as 2-amino-Delta(2)-thiazoline-4-carboxylic acid zwitterion  .
The molecule [I-].[H]C(=C([H])C([H])=C([H])C1=[N+](CCCCCCCCCCCCCCCCCC)c2ccccc2C1(C)C)C([H])=C([H])C([H])=C1N(CCCCCCCCCCCCCCCCCC)c2ccccc2C1(C)C [I-].[H]C(=C([H])C([H])=C([H])C1=[N+](CCCCCCCCCCCCCCCCCC)c2ccccc2C1(C)C)C([H])=C([H])C([H])=C1N(CCCCCCCCCCCCCCCCCC)c2ccccc2C1(C)C is diIC18(7) dye. It has the role of fluorochrome . Its functional parent is C7-indocyanine . It is also related to or classified as organic iodide salt .
The molecule CCCCCCCCCCCCCCCCCCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])O is a 2,3-trans-enoyl CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of trans-2-octacosenoyl-CoA; major species at pH 7.3. It is a conjugate base of a trans-octacos-2-enoyl-CoA.
The molecule C[C@H]1C[C@@]2(O)[C@H]([C@H]1O)[C@@H](OC(=O)\C=C\c1ccccc1)\C(C)=C/C[C@H]1[C@@H](\C=C(C)\C2=O)C1(C)C C[C@H]1C[C@@]2(O)[C@H]([C@H]1O)[C@@H](OC(=O)\C=C\c1ccccc1)\C(C)=C/C[C@H]1[C@@H](\C=C(C)\C2=O)C1(C)C is A  lathyrane diterpenoid isolated from the roots of Euphorbia micractina. It is also related to or classified as tertiary alpha-hydroxy ketone  . It is also related to or classified as cinnamate ester , lathyrane diterpenoid .
The molecule CC/C=C\\C[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\\CCCC(=O)O)O)O)O is a prostaglandin Falpha that is prosta-5,13,17-trien-1-oic acid carrying three hydroxy substituents at positions 9alpha, 11alpha and 15. It is a conjugate acid of a prostaglandin F3alpha(1-).
The molecule [H][C@@]12C=C(CO)C[C@]3(O)C(=O)C(C)=C[C@@]3([H])[C@@]1(O)[C@H](C)[C@@H](OC(=O)CC\C=C/CCCCC)[C@]1(OC(C)=O)[C@@]2([H])C1(C)C [H][C@@]12C=C(CO)C[C@]3(O)C(=O)C(C)=C[C@@]3([H])[C@@]1(O)[C@H](C)[C@@H](OC(=O)CC\C=C/CCCCC)[C@]1(OC(C)=O)[C@@]2([H])C1(C)C is rel-12-O-(4Z)-Deca-4-enoylphorbol-13-acetate. It has the role of metabolite . It is also related to or classified as phorbol ester .
The molecule OC(=O)CCCCCl OC(=O)CCCCCl is an organochlorine compound comprising pentanoic acid with a 5-chloro substituent. It is also related to or classified as organochlorine compound  .
The molecule O=C1O[C@@H]([C@H](C=CC=C[C@@H](O)[C@H]([C@H](O)C[C@@H](O)C[C@H](OC(=O)CC(=O)O)C[C@H]2O[C@](C[C@H]([C@H](CC[C@@H]([C@H]([C@H](C[C@H]([C@H](C=C[C@H]([C@H]1C)O)C)O)O)C)O)C)O)(O)[C@H](O)[C@H](C2)OC(=O)CC(=O)O)C)C)[C@H](C[C@H](CCC/C=C/CCCNC(=NC)N)C)C O=C1O[C@@H]([C@H](C=CC=C[C@@H](O)[C@H]([C@H](O)C[C@@H](O)C[C@H](OC(=O)CC(=O)O)C[C@H]2O[C@](C[C@H]([C@H](CC[C@@H]([C@H]([C@H](C[C@H]([C@H](C=C[C@H]([C@H]1C)O)C)O)O)C)O)C)O)(O)[C@H](O)[C@H](C2)OC(=O)CC(=O)O)C)C)[C@H](C[C@H](CCC/C=C/CCCNC(=NC)N)C)C is 19-O-malonylniphimycin. Its functional parent is hexacarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule NC1=[NH+]C(CS1)C([O-])=O NC1=[NH+]C(CS1)C([O-])=O is an amino acid zwitterion obtained from 2-amino-Delta(2)-thiazoline-4-carboxylic acid by the transfer of a proton from the carboxy group to the thiazoline nitrogen. The major species at pH 7.3. It is also related to or classified as amino-acid zwitterion .
The molecule C(=C1C(N(N=C1C)C2=CC=C(C(=O)O)C=C2)=O)([H])C=3OC(=CC3)C4=CC(=C(C=C4[N+]([O-])=O)C)C C(=C1C(N(N=C1C)C2=CC=C(C(=O)O)C=C2)=O)([H])C=3OC(=CC3)C4=CC(=C(C=C4[N+]([O-])=O)C)C is A pyrazolone that is 5-methyl-4-methylene-2-(p-carboxyphenyl)-2,4-dihydro-3H-pyrazol-3-one in which the exocyclic carbon of the methylene group is attached to a 5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl group by a single bond. C646 is a potent, cell permeable and selective competitive inhibitor of p300 and CBP (p300/CBP) histone acetyltransferases. It has the role of radiosensitizing agent . It has the role of apoptosis inducer . It has the role of EC 2.3.1.48 (histone acetyltransferase) inhibitor . It is also related to or classified as benzoic acids , furans , C-nitro compound , biaryl , pyrazolone .
The molecule C[C@H]1C[C@@]2(O)[C@H]([C@H]1OC(=O)\C=C\c1ccccc1)[C@@H](O)\C(C)=C/C[C@H]1[C@@H](\C=C(C)\C2=O)C1(C)C C[C@H]1C[C@@]2(O)[C@H]([C@H]1OC(=O)\C=C\c1ccccc1)[C@@H](O)\C(C)=C/C[C@H]1[C@@H](\C=C(C)\C2=O)C1(C)C is A  lathyrane diterpenoid isolated from the roots of Euphorbia micractina. It is also related to or classified as tertiary alpha-hydroxy ketone  . It is also related to or classified as cinnamate ester , lathyrane diterpenoid .
The molecule C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)OC[C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)O[C@]4([C@H]([C@@H]([C@H](O4)CO)O)O)CO)O)O)O)O)O)O)O)O)O)O is a tetrasaccharide consisting of sucrose having an alpha-D-galactosyl-(1->6)-alpha-D-galactosyl moiety attached at the 6-position of the glucose. It has a role as a plant metabolite and a mouse metabolite. It is a raffinose family oligosaccharide and a tetrasaccharide. It derives from a sucrose and a raffinose.
The molecule [H][C@@]12C=C(CO)C[C@]3(O)C(=O)C(C)=C[C@@]3([H])[C@@]1(O)[C@H](C)[C@@H](OC(=O)CC\C=C/C\C=C/CC)[C@]1(OC(C)=O)[C@@]2([H])C1(C)C [H][C@@]12C=C(CO)C[C@]3(O)C(=O)C(C)=C[C@@]3([H])[C@@]1(O)[C@H](C)[C@@H](OC(=O)CC\C=C/C\C=C/CC)[C@]1(OC(C)=O)[C@@]2([H])C1(C)C is rel-12-O-(4Z,7Z)-Deca-4,7-dienoylphorbol-13-acetate. It has the role of metabolite . It is also related to or classified as phorbol ester .
The molecule OC(=O)CCCCCBr OC(=O)CCCCCBr is an organobromine compound comprising hexanoic acid having a bromo substituent at the 6-position. Its functional parent is hexanoic acid . It is also related to or classified as organobromine compound  .
The molecule CCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 is an oxo-fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxylic acid group of 3-oxodecanoic acid. It has the role of mouse metabolite . It has the role of Saccharomyces cerevisiae metabolite . It has the role of Escherichia coli metabolite . It has the role of human metabolite . Its functional parent is decanoyl-CoA . Its functional parent is 3-oxodecanoic acid . It is a conjugate acid of 3-oxodecanoyl-CoA(4-) . It is also related to or classified as 3-oxo-fatty acyl-CoA  .
The molecule NC1=[NH+][C@H](CS1)C([O-])=O NC1=[NH+][C@H](CS1)C([O-])=O is A 2-amino-Delta(2)-thiazoline-4-carboxylic acid zwitterion that has S-configuration. The major species at pH 7.3. It is also related to or classified as 2-amino-Delta(2)-thiazoline-4-carboxylic acid zwitterion  .
The molecule C[C@H]1C[C@@]2(OC(=O)c3ccccc3)[C@@H](\C=C(C)\CC[C@H]3[C@@H](\C=C(C)\C2=O)C3(C)C)[C@H]1O C[C@H]1C[C@@]2(OC(=O)c3ccccc3)[C@@H](\C=C(C)\CC[C@H]3[C@@H](\C=C(C)\C2=O)C3(C)C)[C@H]1O is A  lathyrane diterpenoid isolated from the roots of Euphorbia micractina. It has the role of vasodilator agent . It is also related to or classified as benzoate ester , lathyrane diterpenoid .
The molecule C1=CC=C(C(=C1)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)NC4=NC(=NC(=N4)N)N)O)S(=O)(=O)O is a triamino-1,3,5-triazine having a polysubstituted naphthalene group attached to one of the exocyclic nitrogens. It has a role as an epitope and a dye. It is a triamino-1,3,5-triazine, an aminonaphthalenesulfonic acid and a monoazo compound.
The molecule [H][C@@]1(CC[C@]2([H])[C@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@H](O)C[C@@]33OO[C@@]21C=C3)[C@H](C)\C=C\[C@@H](C)C(C)C [H][C@@]1(CC[C@]2([H])[C@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@H](O)C[C@@]33OO[C@@]21C=C3)[C@H](C)\C=C\[C@@H](C)C(C)C is (22E,24S)-5alpha,8alpha-epidioxy-24-methylcholesta-6,22-dien-3beta-ol. It has the role of metabolite . It is also related to or classified as ergostanoid .
The molecule OC(=O)c1ccc(Br)cc1 OC(=O)c1ccc(Br)cc1 is A bromobenzoic acid carrying a single bromo subsituent at the 4-position. It is also related to or classified as bromobenzoic acid .
The molecule NC1=NC(CS1)C(O)=O NC1=NC(CS1)C(O)=O is A 1,3-thiazole that is 4,5-dihydro-1,3-thiazole which is substituted at positions 2 and 4 by an amino and a carboxy group, respectively. It is also related to or classified as sulfur-containing amino acid , 1,3-thiazoles .
The molecule CCCCCC1=CC(=CC(=O)O1)O is a pyranone that is 2H-pyran-2-one in which the hydrogens at positions 4 and 6 are substituted by hydroxy and pentyl groups respectively. It has a role as a metabolite. It is a polyketide and a member of 2-pyranones.
The molecule C[C@H]1C[C@@]2(OC(=O)\C=C\c3ccccc3)[C@@H](\C=C(C)\CC[C@H]3[C@@H](\C=C(C)\C2=O)C3(C)C)[C@H]1O C[C@H]1C[C@@]2(OC(=O)\C=C\c3ccccc3)[C@@H](\C=C(C)\CC[C@H]3[C@@H](\C=C(C)\C2=O)C3(C)C)[C@H]1O is A lathyrane diterpenoid isolated from the roots of Euphorbia micractina. It is also related to or classified as cinnamate ester , lathyrane diterpenoid .
The molecule C1=CC=C(C=C1)C[C@@H](CO)NC(=O)C2=CC=CC=C2 is a member of the class of benzamides resulting from the formal condensation of the carboxy group of benzoic acid with the amino group of L-phenylalaninol. It has a role as a plant metabolite and a fungal metabolite. It is a member of benzamides, a primary alcohol and a secondary carboxamide. It derives from a L-phenylalaninol and a benzoic acid.
The molecule [H][C@]12CC[C@@]3(C)[C@@]([H])(C[C@H](O)[C@]3([H])[C@@](C)(O)CC[C@@H](C)C(C)C)[C@]1([H])[C@H](O)C=C1C[C@@H](O)CC[C@]21C [H][C@]12CC[C@@]3(C)[C@@]([H])(C[C@H](O)[C@]3([H])[C@@](C)(O)CC[C@@H](C)C(C)C)[C@]1([H])[C@H](O)C=C1C[C@@H](O)CC[C@]21C is (20S)-5-ergostene-3beta,7alpha,16beta,20-tetrol. It has the role of metabolite . It is also related to or classified as ergostanoid .
The molecule OC(=O)c1cc(ccc1C(F)(F)F)C(F)(F)F OC(=O)c1cc(ccc1C(F)(F)F)C(F)(F)F is A benzoic acid carrying trifluoromethyl substituents at the 2- and 5-positions. It is also related to or classified as benzoic acids , (trifluoromethyl)benzenes .
The molecule NC1=N[C@H](CS1)C(O)=O NC1=N[C@H](CS1)C(O)=O is A 2-amino-Delta(2)-thiazoline-4-carboxylic acid that has S configuration. It is also related to or classified as 2-amino-Delta(2)-thiazoline-4-carboxylic acid  .