anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=C(C=C4)F)F)CC(=O)N[C@@H]5CCN(C5)CC6=CC=CC=C6 CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=C(C=C4)F)F)CC(=O)N[C@@H]5CCN(C5)CC6=CC=CC=C6 is N-[(2R,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-[[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .
The molecule [Cl-].O1[C@@H](OC=2C(=[O+]C=3C(C2)=C(O)C=C(O)C3)C4=CC(OC)=C(O)C(OC)=C4)[C@H](O)[C@@H](O)[C@@H](O)C1 [Cl-].O1[C@@H](OC=2C(=[O+]C=3C(C2)=C(O)C=C(O)C3)C4=CC(OC)=C(O)C(OC)=C4)[C@H](O)[C@@H](O)[C@@H](O)C1 is Malvidin-3-arabinoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C[C@H]1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4C[C@H]1C)OC)OC)OC)OC)OCO3 is an organic heterotetracyclic compound that is found in Fructus Schisandrae and Schisandra chinensis. It has a role as a nephroprotective agent, an apoptosis inhibitor, a plant metabolite, an anti-asthmatic agent, an antioxidant, an anti-inflammatory agent, a neuroprotective agent, a hepatoprotective agent and an antilipemic drug. It is an organic heterotetracyclic compound, an aromatic ether, an oxacycle and a cyclic acetal.
The molecule C1[C@@H]([C@](O[C@@](C1)([C@@H](C(O)=O)C)[H])([C@H]([C@H]([C@H]([C@H]([C@H]([C@@H](CC/C=C/[C@H]([C@H](/C(=C/[C@@H](CCC)C)/C)O)C)O)C)O)C)O)C)[H])C C1[C@@H]([C@](O[C@@](C1)([C@@H](C(O)=O)C)[H])([C@H]([C@H]([C@H]([C@H]([C@H]([C@@H](CC/C=C/[C@H]([C@H](/C(=C/[C@@H](CCC)C)/C)O)C)O)C)O)C)O)C)[H])C is griseochelin. It has the role of ionophore . It has the role of bacterial metabolite . It is also related to or classified as pyrans .
The molecule C[C@H]1CN(C(=O)CCCN2C=C(CO[C@@H]1CN(C)S(=O)(=O)C3=CC=CC=C3C)N=N2)[C@@H](C)CO C[C@H]1CN(C(=O)CCCN2C=C(CO[C@@H]1CN(C)S(=O)(=O)C3=CC=CC=C3C)N=N2)[C@@H](C)CO is N-[[(8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N,2-dimethylbenzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H](CO3)O)O)O)NC(=O)C)O)CO)O)O)O is an amino trisaccharide that is alpha-L-fucosyl-(1->4)-N-acetyl-beta-D-glucosamine in which the hydroxy group at position 3 of the N-acetyl-beta-D-glucosamine moiety has been converted to the corresponding alpha-L-arabinopyranosyl derivative. It is an amino trisaccharide and a member of acetamides. It derives from an alpha-L-fucosyl-(1->4)-N-acetyl-beta-D-glucosamine and an alpha-L-arabinopyranose.
The molecule O[C@H]1[C@H](O)C(O)(COP([O-])([O-])=O)O[C@@H]1COP([O-])([O-])=O O[C@H]1[C@H](O)C(O)(COP([O-])([O-])=O)O[C@@H]1COP([O-])([O-])=O is an organophosphate oxoanion obtained by removal of all four protons from the phosphate OH groups of D-fructofuranose 1,6-bisphosphate. It has the role of fundamental metabolite . Its functional parent is D-fructofuranose . It is also related to or classified as organophosphate oxoanion .
The molecule [Na+].[Na+].[H]C(=C([H])C([H])=C1N(CCCS([O-])(=O)=O)c2ccc(cc2C1(C)CCCC(O)=O)S([O-])(=O)=O)C([H])=C([H])c1cc([o+]c2cc(ccc12)N(CC)CCCS([O-])(=O)=O)C(C)(C)C [Na+].[Na+].[H]C(=C([H])C([H])=C1N(CCCS([O-])(=O)=O)c2ccc(cc2C1(C)CCCC(O)=O)S([O-])(=O)=O)C([H])=C([H])c1cc([o+]c2cc(ccc12)N(CC)CCCS([O-])(=O)=O)C(C)(C)C is an organic disodium salt having 2-(5-{2-tert-butyl-7-[ethyl(3-sulfonatopropyl)amino]chromenium-4-yl}penta-2,4-dien-1-ylidene)-3-(3-carboxypropyl)-3-methyl-1-(3-sulfonatopropyl)indoline-5-sulfonate as the counterion. It has the role of fluorochrome . It is also related to or classified as organic sodium salt .
The molecule O=C1Nc2ccccc2C1=O O=C1Nc2ccccc2C1=O is an indoledione that is the 2,3-diketo derivative of indole. It has the role of EC 1.4.3.4 (monoamine oxidase) inhibitor . It has the role of plant metabolite . It is also related to or classified as indoledione .
The molecule CC(CSC(=O)C)C(=O)OC is a methyl ester derived from beta-(acetylthio)isobutyric acid. It is a methyl ester and a thioacetate ester. It derives from an isobutyric acid.
The molecule O(C(=O)CCCCCCCC=CCCCCCCCC)C O(C(=O)CCCCCCCC=CCCCCCCCC)C is Methyl 9-octadecenoate. It is also related to or classified as fatty acid methyl ester  .
The molecule C=1C=C(C=C2C1C(C(=N2)O)=O)CC=C(C)C C=1C=C(C=C2C1C(C(=N2)O)=O)CC=C(C)C is 6-(3'-methylbuten-2-yl)isatin. It has the role of bacterial metabolite . Its functional parent is isatin . It is also related to or classified as indoledione .
The molecule [H]C(=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)C([O-])=O [H]C(=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)C([O-])=O is A monocarboxylic acid anion that is the is conjugate base of 4-O-beta-D-glucosyl-4-coumaric acid. Its functional parent is 4-coumarate . It is also related to or classified as monocarboxylic acid anion  .
The molecule CC(CC1=CC=CC=C1OC)NC.Cl is the hydrochloride salt of methoxyphenamine, a beta-adrenergic receptor agonist that regulates norephinephrine and ephinephrinein concentrations. It is a member of amphetamines and a hydrochloride. It contains a methoxyphenamine.
The molecule OC[C@H](O)[C@H](O)[C@H](O)CO OC[C@H](O)[C@H](O)[C@H](O)CO is A pentitol (five-carbon sugar alcohol) having meso-configuration, being derived from ribose by reduction of the carbonyl group. It occurs naturally in the plant Adonis vernalis. It has the role of plant metabolite . It has the role of human metabolite . It has the role of Daphnia magna metabolite . It is also related to or classified as pentitol  .
The molecule C(CNC1=C(C(NC(N1)=O)=O)/N=C/C(=O)C)CCCO C(CNC1=C(C(NC(N1)=O)=O)/N=C/C(=O)C)CCCO is A nucleobase analogue that is uracil substituted with a (5-hydroxypentyl)amino group at position 6 and an (E)-(2-oxopropylidene)amino group at position 5; one of 20 modifications to the potent microbial riboflavin-based metabolite antigen 5-(2-oxopropylideneamino)-6-D-ribityl aminouracil (5-OP-RU), an activator of mucosal-associated invariant T (MAIT) cells when presented by the MR1 protein (reported in MED:32123373). It has the role of epitope . Its functional parent is uracil . It is also related to or classified as pyrimidone , nucleobase analogue .
The molecule COC=1C=C(C=CC1O)\C(\[H])=C(/[H])\C(NC2=C(CCC2=O)O)=O COC=1C=C(C=CC1O)\C(\[H])=C(/[H])\C(NC2=C(CCC2=O)O)=O is (E)-N-(3-hydroxy-1-oxocyclopent-2-en-2-yl)-3-(4-hydroxy-3-methoxyphenyl) propenamide. It has the role of bacterial metabolite . It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as cyclic ketone .
The molecule [O-]C(=O)CC1(Cl)OC(=O)C=C1 [O-]C(=O)CC1(Cl)OC(=O)C=C1 is the conjugate base of (2-chloro-5-oxo-2,5-dihydro-2-furyl)acetic acid; major species at pH 7.3. It is also related to or classified as monocarboxylic acid anion  .
The molecule [B] [B] is boron atom. It has the role of micronutrient .  It is also related to or classified as nonmetal atom  . It is also related to or classified as metalloid atom , boron group element atom .
The molecule COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O is a glycosyloxyflavone that is isorhamnetin substituted at position 3 by a beta-D-glucosyl residue. It has a role as a metabolite. It is a monosaccharide derivative, a glycosyloxyflavone, a monomethoxyflavone, a trihydroxyflavone and a beta-D-glucoside. It derives from an isorhamnetin and a beta-D-glucose.
The molecule C[C@@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@H]1CN(C)S(=O)(=O)C3=CC=C(C=C3)F)[C@@H](C)CO C[C@@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@H]1CN(C)S(=O)(=O)C3=CC=C(C=C3)F)[C@@H](C)CO is 4-fluoro-N-[[(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methylbenzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1[C@@H]([C@](O[C@@](C1)([C@@H](C(O)=O)C)[H])([C@H]([C@H]([C@H]([C@H]([C@H]([C@@H](CC/C=C/[C@H]([C@H](/C(=C/[C@@H](CC=C)C)/C)O)C)O)C)O)C)O)C)[H])C C1[C@@H]([C@](O[C@@](C1)([C@@H](C(O)=O)C)[H])([C@H]([C@H]([C@H]([C@H]([C@H]([C@@H](CC/C=C/[C@H]([C@H](/C(=C/[C@@H](CC=C)C)/C)O)C)O)C)O)C)O)C)[H])C is 24-dehydrozincophorin. It has the role of ionophore . It has the role of bacterial metabolite . It is also related to or classified as pyrans .
The molecule OC1=C(O)C=CC1=O OC1=C(O)C=CC1=O is 2,3-Dihydroxy-2,4-cyclopentadien-1-one. It is also related to or classified as enol  . It is also related to or classified as enone  .
The molecule P(OC[C@@H](CO/C=C\CCCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(=O)(OCC[NH3+])[O-] P(OC[C@@H](CO/C=C\CCCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(=O)(OCC[NH3+])[O-] is A 1-(Z)-alk-1-enyl-2-acyl-sn-glycero-3-phosphoethanolamine zwitterion in which the alkenyl and acyl groups are specified as (1Z)-octadecenyl and linoleoyl respectively. It has the role of mouse metabolite . It is also related to or classified as 1-O-(1Z-octadecenyl)-2-acyl-sn-glycero-3-phosphoethanolamine zwitterion  . It is also related to or classified as 1-(Z)-alk-1-enyl-2-acyl-sn-glycero-3-phosphoethanolamine zwitterion  .
The molecule C1CN2CC3=C(C[C@H]2C4=CC5=C(C=C41)OCO5)C=CC6=C3OCO6 is a berberine alkaloid isolated from the plants of the family papaveraceae. It has a role as a plant metabolite. It is an organic heterohexacyclic compound and a berberine alkaloid.
The molecule O(C(=O)CCCCCCCCCC=CCCCCCCCC)C O(C(=O)CCCCCCCCCC=CCCCCCCCC)C is Methyl 11-eicosenoate. It is also related to or classified as fatty acid methyl ester  .
The molecule CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC=O CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC=O is an acyl-CoA(4-) oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of 3-oxopropanoyl-CoA; major species at pH 7.3. It is also related to or classified as acyl-CoA(4-)  .
The molecule C[C@H]1CN(C(=O)CCCN2C=C(CO[C@@H]1CN(C)C(=O)NC3=CC=CC4=CC=CC=C43)N=N2)[C@@H](C)CO C[C@H]1CN(C(=O)CCCN2C=C(CO[C@@H]1CN(C)C(=O)NC3=CC=CC4=CC=CC=C43)N=N2)[C@@H](C)CO is 1-[[(8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C=1C2=C(C(=CC1)O)C(CC(O2)C=3C=CC(=CC3)OS([O-])(=O)[O-])=O C=1C2=C(C(=CC1)O)C(CC(O2)C=3C=CC(=CC3)OS([O-])(=O)[O-])=O is 5,4'-dihydroxyflavone-4'-sulfate(2-). It has the role of bacterial metabolite . It is also related to or classified as hydroxyflavone sulfate .
The molecule C(=O)C(=O)[O-].[Na+] is an organic sodium salt that is the monosodium salt of glyoxylic acid. It has a role as a Saccharomyces cerevisiae metabolite, a human metabolite, a mouse metabolite and an Escherichia coli metabolite. It contains a glyoxylate.
The molecule S(OCCCCCCCCCCCCCCCCCC)(O)(=O)=O S(OCCCCCCCCCCCCCCCCCC)(O)(=O)=O is Sulfuric acid, monooctadecyl ester. It is also related to or classified as sulfuric ester  .
The molecule [C@@]12(C3=CC=C[C@@H](CC(=CC[C@]4(O[C@@]5(C[C@H](C4)OC([C@]1([H])C=C(C)[C@H]([C@@]2([H])OC3)O)=O)O[C@@H]([C@H](CC5)C)C(C)C)[H])C)C)O [C@@]12(C3=CC=C[C@@H](CC(=CC[C@]4(O[C@@]5(C[C@H](C4)OC([C@]1([H])C=C(C)[C@H]([C@@]2([H])OC3)O)=O)O[C@@H]([C@H](CC5)C)C(C)C)[H])C)C)O is A milbemycin originally isolated from Streptomyces hygroscopicus with formula C33H48O7 that has insecticidal and anthelmintic proerties. It has the role of insecticide . It has the role of nematicide . It has the role of anthelminthic drug . It is also related to or classified as milbemycin  .
The molecule OCC1(OP(O)(O)=O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O OCC1(OP(O)(O)=O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O is A ketohexose bisphosphate that is D-fructofuranose carrying phosphate groups at positions 2 and 6. Its functional parent is D-fructofuranose . It is also related to or classified as ketohexose bisphosphate .
The molecule COc1cccc2[nH]cc(CC(S[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=NOS([O-])(=O)=O)c12 COc1cccc2[nH]cc(CC(S[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=NOS([O-])(=O)=O)c12 is an indolylmethylglucosinolate that is the conjugate base of 4-methoxyglucobrassicin, obtained by deprotonation of the sulfo group. It is also related to or classified as indolylmethylglucosinolate  .
The molecule CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCC is a 1,2-diacyl-sn-glycerol 3-phosphate in which the phosphatidyl acyl groups at postions 1 and 2 are specified as heptadecanoyl and lauroyl respectively. It is a 1-acyl-2-dodecanoyl-sn-glycero-3-phosphate and a dodecanoate ester. It derives from a heptadecanoic acid. It is a conjugate acid of a 1-heptadecanoyl-2-lauroyl-sn-glycero-3-phosphate(2-).
The molecule C[C@H]1CN(C(=O)CCCN2C=C(CO[C@@H]1CN(C)CC3=CC4=C(C=C3)N(CCO4)C)N=N2)[C@@H](C)CO C[C@H]1CN(C(=O)CCCN2C=C(CO[C@@H]1CN(C)CC3=CC4=C(C=C3)N(CCO4)C)N=N2)[C@@H](C)CO is (8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methyl]amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=CC=C4)Cl)CC(=O)OC CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=CC=C4)Cl)CC(=O)OC is 2-[(2S,4aR,12aR)-8-[[(3-chlorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .
The molecule [C@@]12(C3=CC=C[C@@H](CC(=CC[C@]4(O[C@@]5(C[C@H](C4)OC([C@]1([H])C=C(C)[C@H]([C@@]2([H])OC3)OC)=O)O[C@@H]([C@H](C[C@H]5O)C)/C(/C)=C/C)[H])C)C)O [C@@]12(C3=CC=C[C@@H](CC(=CC[C@]4(O[C@@]5(C[C@H](C4)OC([C@]1([H])C=C(C)[C@H]([C@@]2([H])OC3)OC)=O)O[C@@H]([C@H](C[C@H]5O)C)/C(/C)=C/C)[H])C)C)O is VM 44864. It is also related to or classified as milbemycin  . It is also related to or classified as organic molecular entity .
The molecule Nc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)n1 Nc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)n1 is CDP-D-glucose. It is a conjugate acid of CDP-D-glucose(2-) . It is also related to or classified as CDP-sugar  .
The molecule CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC5=NSN=C5C=C4 is a sulfonamide that is the N-4-toluenesulfonyl (N-tosyl) derivative of N-(2,1,3-benzothiadiazol-5-yl)quinoxaline-2,3-diamine. A selective PI3K inhibitor used in cancer treatment. It has a role as an EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor and an antineoplastic agent. It is a sulfonamide, a quinoxaline derivative, a benzothiadiazole and an aromatic amine.
The molecule OC1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)C(O)=O OC1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)C(O)=O is the pyranose form of D-galacturonic acid. It is a conjugate acid of D-galactopyranuronate . It is also related to or classified as D-galacturonic acid .
The molecule [C@@]12(C3=CC=C[C@@H](CC(=CC[C@]4(O[C@@]5(C[C@H](C4)OC([C@]1([H])C=C(C)[C@H]([C@@]2([H])OC3)O)=O)O[C@@H]([C@H](CC5)C)/C(/C)=C/C)[H])C)C)O [C@@]12(C3=CC=C[C@@H](CC(=CC[C@]4(O[C@@]5(C[C@H](C4)OC([C@]1([H])C=C(C)[C@H]([C@@]2([H])OC3)O)=O)O[C@@H]([C@H](CC5)C)/C(/C)=C/C)[H])C)C)O is VM 44857. It has the role of bacterial metabolite . It is also related to or classified as milbemycin  .
The molecule CCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@H]([C@@H](CN(C2=O)C)OC)C)C(=O)CC)C CCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@H]([C@@H](CN(C2=O)C)OC)C)C(=O)CC)C is N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(1-oxopropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule OS(=O)(=O)c1ccccc1.OC(=O)CCCN1CCC(CC1)O[C@@H](c1ccc(Cl)cc1)c1ccccn1 OS(=O)(=O)c1ccccc1.OC(=O)CCCN1CCC(CC1)O[C@@H](c1ccc(Cl)cc1)c1ccccn1 is an organosulfonate salt obtained by combining equimolar amounts of bepotastine and benzenesulfonic acid. A topical, selective and non-sedating histamine (H1) receptor antagonist used for treatment of itching associated with allergic conjunctivitis. It has the role of H1-receptor antagonist . It has the role of anti-allergic agent . It is also related to or classified as organosulfonate salt .
The molecule C1[C@@H](C[NH2+][C@@H]1C(=O)[O-])O[C@@H]2[C@@H]([C@H]([C@@H](O2)CO)O)O is an amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of 4-O-(beta-L-Araf)-cis-L-Hyp. It is a tautomer of a 4-O-(beta-L-Araf)-cis-L-Hyp.
The molecule Cc1cn([C@H]2C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])(=O)OC3O[C@@H]([C@H](O)[C@H](O)[C@H]3O)C([O-])=O)O2)c(=O)[nH]c1=O Cc1cn([C@H]2C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])(=O)OC3O[C@@H]([C@H](O)[C@H](O)[C@H]3O)C([O-])=O)O2)c(=O)[nH]c1=O is A nucleotide-sugar oxoanion that is a trianion of dTDP-D-galacturonic acid arising from deprotonation of carboxy and diphosphate OH groups; major species at pH 7.3. It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as nucleotide-sugar oxoanion , carbohydrate acid derivative anion .
The molecule C(SC)C[C@]([H])(NC(CCCCCCC/C=C\CCCCCCCC)=O)C(=O)[O-] C(SC)C[C@]([H])(NC(CCCCCCC/C=C\CCCCCCCC)=O)C(=O)[O-] is N-oleoyl-L-methionine(1-). Its functional parent is oleate . It is also related to or classified as N-(fatty acyl)-L-methionine(1-)  .
The molecule C1[C@]2([C@](C([C@H](C1)O)(C)C)(CCC3=C2CC[C@@]4(C)[C@@]3(C)CC[C@@]4([C@@H](C/C=C/C(OC)(C)C)C)[H])[H])C C1[C@]2([C@](C([C@H](C1)O)(C)C)(CCC3=C2CC[C@@]4(C)[C@@]3(C)CC[C@@]4([C@@H](C/C=C/C(OC)(C)C)C)[H])[H])C is A 3beta-hydroxy steroid that is (3beta,5alpha)-4,4,14-trimethylandrost-8-en-3-ol which is substituted by a (3E,6S)-2-methoxy-2-methylhept-3-en-6-yl group at position 17. It has the role of antifungal agent . It has the role of fungal metabolite . It is also related to or classified as ether  .  It is also related to or classified as 3beta-hydroxy steroid  . It is also related to or classified as tetracyclic triterpenoid .
The molecule C[C@@H]1CN(C(=O)CCCN2C=C(CO[C@H]1CN(C)CC3=CC=C(C=C3)C(F)(F)F)N=N2)[C@@H](C)CO C[C@@H]1CN(C(=O)CCCN2C=C(CO[C@H]1CN(C)CC3=CC=C(C=C3)C(F)(F)F)N=N2)[C@@H](C)CO is (8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@H]1OC(OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(N)nc2=O)[C@H](O)C[C@@H]1O C[C@H]1OC(OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(N)nc2=O)[C@H](O)C[C@@H]1O is A nucleotide-sugar oxoanion that is the dianion of CDP-3,6-dideoxy-D-glucose, arising from deprotonation of the diphosphate OH groups; major species at pH 7.3. It is also related to or classified as nucleotide-sugar oxoanion .
The molecule NCP(O)(O)=O NCP(O)(O)=O is A member of the class of phosphonic acids that is phosphonic acid substituted by an aminomethyl group. It is a metabolite of the herbicide glyphosate. Its functional parent is phosphonic acid . It is a conjugate acid of (aminomethyl)phosphonate(1-) . It is also related to or classified as phosphonic acids , one-carbon compound .
The molecule CC(CC/C=C(/C)\\CC/C=C(\\C)/CC/C=C(\\C)/CCC=C(C)C)CCOP(=O)([O-])OP(=O)([O-])OC1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O[C@@H]9[C@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)O)NC(=O)C)O)NC(=O)C is the dolichyl diphosphooligosaccharide(2-) species that is the dianion formed by loss of protons from the diphospho linkage in alpha-D-Glc-(1->2)-alpha-D-Glc-(1->3)-alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol); major microspecies at pH 7.3. It is a conjugate base of an alpha-D-Glc-(1->2)-alpha-D-Glc-(1->3)-alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol).
The molecule C1=CC(=NC(N1[C@@H]2O[C@H](COP(OP([O-])(=O)CCC(C([O-])=O)[NH3+])(=O)[O-])[C@H]([C@H]2O)O)=O)N C1=CC(=NC(N1[C@@H]2O[C@H](COP(OP([O-])(=O)CCC(C([O-])=O)[NH3+])(=O)[O-])[C@H]([C@H]2O)O)=O)N is major species at pH 7.3. It is also related to or classified as organophosphate oxoanion .
The molecule CCCCCCC[C@H]1OC2=C([C@@H](O)[C@]1(C)O)C(=O)O[C@@H]2C CCCCCCC[C@H]1OC2=C([C@@H](O)[C@]1(C)O)C(=O)O[C@@H]2C is A gamma-lactone that is 3,4,5,7-tetrahydro-2H-furo[3,4-b]pyran substituted by heptyl, methyl, hydroxy, hydroxy, oxo and methyl groups at positions 2R, 3S, 3S, 4R, 5 and 7R, respectively. It is isolated from the endophytic fungus Phaeoacremonium sp. and exhibits antifungal activities. It has the role of antifungal agent . It has the role of fungal metabolite . It is also related to or classified as diol  . It is also related to or classified as tertiary alcohol  .  It is also related to or classified as secondary alcohol  . It is also related to or classified as gamma-lactone  . It is also related to or classified as organic heterobicyclic compound .
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNC(=O)CCCCCCC)OC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC is an N-acylphosphatidylethanolamine in which the N-acyl group is specified as capryloyl (octanoyl) while the phosphatidyl acyl groups at position 1 and 2 are specified as palmitoyl (hexadecanoyl) and linoleoyl (9Z,12Z-octadecadienoyl) respectively. It derives from a hexadecanoic acid, a linoleic acid and an octanoic acid. It is a conjugate acid of a N-capryloyl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine(1-).
The molecule CN(CC(O)=O)C(=O)C1=CC=CC=C1 CN(CC(O)=O)C(=O)C1=CC=CC=C1 is an N-acylglycine that is N-methylglycine in which the hydrogen of the amino group is substituted by a benzoyl group. It has the role of EC 1.1.1.21 (aldehyde reductase) inhibitor . It is also related to or classified as N-acylglycine  . It is also related to or classified as monocarboxylic acid .
The molecule C[C@@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@@H]1CN(C)CC3=CC=C(C=C3)C4=CC=CC=C4)[C@H](C)CO C[C@@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@@H]1CN(C)CC3=CC=C(C=C3)C4=CC=CC=C4)[C@H](C)CO is (8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1=CC(=C(C(=C1)Cl)Cl)NC(=O)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)C(=O)O is a dicarboxylic acid monoamide that is the mono-(2,3-dichloroanilide) of tetrachlorophthalic acid. It is used for the treatment of bacterial leaf blight in paddy rice. It has a role as an antibacterial agent and an agrochemical. It is a dicarboxylic acid monoamide, a tetrachlorobenzene, a dichlorobenzene and a benzanilide fungicide.
The molecule O1C(C(O)C(O)C(O)C1OC=2C(OC)=C3OC(=O)C=CC3=CC2OC)CO O1C(C(O)C(O)C(O)C1OC=2C(OC)=C3OC(=O)C=CC3=CC2OC)CO is Eleutheroside B1.  It is also related to or classified as glycoside  . It is also related to or classified as coumarins .