anonymous041/ChEBI-Augmented huggingface dataset:
The molecule [H]C12CC3(C)C(=O)C4(C)CC1(CCC1([H])C2(C)C=CC(=O)OC1(C)C)C31COC(=O)C1C4O [H]C12CC3(C)C(=O)C4(C)CC1(CCC1([H])C2(C)C=CC(=O)OC1(C)C)C31COC(=O)C1C4O is A meroterpenoid with formula C25H32O6. It is isolated from the fungus Aspergillus stellatus. It has the role of marine metabolite . It has the role of Aspergillus metabolite . 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 cyclic ketone , epsilon-lactone , organic heterohexacyclic compound , meroterpenoid .
The molecule N(C(CCCCCCCCCCCCCCC)=O)CCOP(OC[C@@H](COC(CCCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCCC)=O)(=O)O N(C(CCCCCCCCCCCCCCC)=O)CCOP(OC[C@@H](COC(CCCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCCC)=O)(=O)O is an N-hexadecanoylphosphatidylethanolamine in which the acyl groups at positions 1 and 2 are both specified as heptadecanoyl. Its functional parent is heptadecanoic acid . It is a conjugate acid of N-hexadecanoyl-1,2-diheptadecanoyl-sn-glycero-3-phosphoethanolamine(1-) . It is also related to or classified as N-hexadecanoylphosphatidylethanolamine  .
The molecule OC(=O)C1=CC2=CC(O)=C(O)C=C2N1 OC(=O)C1=CC2=CC(O)=C(O)C=C2N1 is A dihydroxyindole that is indole-2-carboxylic acid substituted by hydroxy groups at positions 5 and 6. It has the role of mouse metabolite . It is a conjugate acid of 5,6-dihydroxyindole-2-carboxylate . It is also related to or classified as dihydroxyindole .
The molecule P(OC[C@@H](COC(CCCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCCC)=O)(=O)(OCCN)O P(OC[C@@H](COC(CCCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCCC)=O)(=O)(OCCN)O is 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the acyl groups at positions 1 and 2 are both specified as heptadecanoyl. Its functional parent is heptadecanoic acid . It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphoethanolamine  .
The molecule C(CN)OP(OC[C@@H](COC(CCCCCC)=O)OC(=O)CCCCC)(=O)O C(CN)OP(OC[C@@H](COC(CCCCCC)=O)OC(=O)CCCCC)(=O)O is 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the acyl groups at positions 1 and 2 are specified as heptanoyl and hexanoyl respectively. Its functional parent is hexanoic acid . Its functional parent is heptanoic acid . It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphoethanolamine  .
The molecule [H][B-]([H])[H] [H][B-]([H])[H] is trihydridoborate(.1-). It is also related to or classified as boron hydride , inorganic radical anion .
The molecule O1C=2C3=C(C(O)=C1C=4C=C(OC)C(O)=C(O)C4)C=C(OC3=CC(=[OH+])C2)C5=CC=C(O)C=C5 O1C=2C3=C(C(O)=C1C=4C=C(OC)C(O)=C(O)C4)C=C(OC3=CC(=[OH+])C2)C5=CC=C(O)C=C5 is 7-(3,4-dihydroxy-5-methoxyphenyl)-6,11-dihydroxy-3-(4-hydroxyphenyl)-2?,8-dioxatricyclo[7.3.1.0?,??]trideca-1(13),2,4,6,9,11-hexaen-2-ylium. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule C(CN)OP(OC[C@@H](COC(CCCCC)=O)OC(=O)CCCCC)(=O)O C(CN)OP(OC[C@@H](COC(CCCCC)=O)OC(=O)CCCCC)(=O)O is A 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the acyl groups at positions 1 and 2 are both specified as hexanoyl. Its functional parent is hexanoic acid . It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphoethanolamine  .
The molecule [O-]C(=O)C1=CC2=CC(=O)C(=O)C=C2N1 [O-]C(=O)C1=CC2=CC(=O)C(=O)C=C2N1 is an indolecarboxylate that is the conjugate base of indole-5,6-quinone-2-carboxylic acid resulting from the deprotonation of the carboxy group. Major microspecies at pH 7.3. Its functional parent is 5,6-dihydroxyindole-2-carboxylate . It is also related to or classified as indolecarboxylate .
The molecule COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1 COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1 is A sulfonamide consisting of pyrimidine having methoxy substituents at the 2- and 6-positions and a 4-aminobenzenesulfonamido group at the 4-position. It has the role of antimicrobial agent . It has the role of antiinfective agent . It has the role of xenobiotic . It has the role of environmental contaminant . It has the role of drug allergen . Its functional parent is sulfanilamide .     It is also related to or classified as sulfonamide  . It is also related to or classified as aromatic ether , pyrimidines , substituted aniline , sulfonamide antibiotic .
The molecule C1(=C(C[C@H](CC1(C)C)O)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C[C@@H](CC2(C)C)O)C)\C)\C)/C)/C C1(=C(C[C@H](CC1(C)C)O)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C[C@@H](CC2(C)C)O)C)\C)\C)/C)/C is A carotenol that is beta,beta-carotene carrying two hydroxy substituents at positions 3 and 3' (the 3R,3'S-diastereomer). It is rarely found in diet and is believed to be formed at the macula by metabolic transformations of ingested carotenoids. It has the role of antioxidant . It has the role of anti-inflammatory agent . It has the role of marine metabolite . It has the role of human xenobiotic metabolite . It is also related to or classified as carotenol .
The molecule [In+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O [In+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O is the trinitrate salt of indium. It has the role of NMR chemical shift reference compound . It is also related to or classified as indium molecular entity , inorganic nitrate salt .
The molecule S1[Fe][S]2[Fe]3[S]4[Fe]2[S]2[Fe]4[S]3[Ni]12 S1[Fe][S]2[Fe]3[S]4[Fe]2[S]2[Fe]4[S]3[Ni]12 is A nickel-iron-sulfur cluster in which the nickel and iron atoms are linked by bridging sulfur atoms with the ratio Ni:Fe:S = 1:4:5. It has the role of cofactor . It is also related to or classified as nickel-iron-sulfur cluster .
The molecule CCCCCCCCCCCCCCCCCCCCCC(O)CCC CCCCCCCCCCCCCCCCCCCCCC(O)CCC is A secondary fatty alcohol that is pentacosane substituted by a hydroxy group at position 4. It is also related to or classified as secondary fatty alcohol  . It is also related to or classified as pentacosanol .
The molecule OC1=CC=C(CCNC(=O)\C=C\C2=CC=CC=C2)C=C1 OC1=CC=C(CCNC(=O)\C=C\C2=CC=CC=C2)C=C1 is A member of the class of cinnamamides that is tyramine substituted by a (1E)-3-oxo-1-phenylprop-1-en-3-yl group at the nitrogen atom. It is found in rice and exhibits an allelopathic effect to suppress the growth of weeds. It has the role of phytoalexin . It has the role of antimicrobial agent . It has the role of platelet aggregation inhibitor . It has the role of allelochemical . Its functional parent is tyramine . Its functional parent is trans-cinnamic acid . It is also related to or classified as secondary carboxamide  .  It is also related to or classified as phenols  . It is also related to or classified as cinnamamides .
The molecule COC(=O)C1=CCCN(C)C1 COC(=O)C1=CCCN(C)C1 is A tetrahydropyridine that is 1,2,5,6-tetrahydropyridine with a methyl group at position 1, and a methoxycarbonyl group at position 3. An alkaloid found in the areca nut, it acts as an agonist of muscarinic acetylcholine. It has the role of metabolite . It has the role of muscarinic agonist . It is also related to or classified as methyl ester  .   It is also related to or classified as enoate ester  . It is also related to or classified as pyridine alkaloid , tetrahydropyridine .
The molecule CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H]([NH3+])CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H]([NH3+])CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O is the ammonium ion resulting from the protonation of the amino group of psychosine. It has the role of human metabolite . It is a conjugate acid of psychosine . It is also related to or classified as ammonium ion derivative .
The molecule OS(=O)(O)=O.[C@@H]1([C@H](O[C@@H]2[C@H]([C@@H]([C@@H](NC(=N)N)[C@@H]([C@H]2O)O)O)NC(N)=N)O[C@H]([C@@]1(C=O)O)C)O[C@H]3[C@H]([C@@H]([C@@H](O)[C@@H](O3)CO)O)NC.OS(=O)(O)=O.OS(=O)(O)=O.[C@@H]1([C@H](O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)NC(=N)N)O)NC(N)=N)O[C@H]([C@@]1(C=O)O)C)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC OS(=O)(O)=O.[C@@H]1([C@H](O[C@@H]2[C@H]([C@@H]([C@@H](NC(=N)N)[C@@H]([C@H]2O)O)O)NC(N)=N)O[C@H]([C@@]1(C=O)O)C)O[C@H]3[C@H]([C@@H]([C@@H](O)[C@@H](O3)CO)O)NC.OS(=O)(O)=O.OS(=O)(O)=O.[C@@H]1([C@H](O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)NC(=N)N)O)NC(N)=N)O[C@H]([C@@]1(C=O)O)C)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC is streptomycin sulfate. Its functional parent is streptomycin . It is also related to or classified as aminoglycoside sulfate salt .
The molecule [H]C(=[C@@]=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)C(C)=O [H]C(=[C@@]=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)C(C)=O is A member of the class of allenes that is cyclohexane substituted by 3-oxobut-1-en-1-ylidene, methyl, hydroxy, hydroxy, methyl and methyl groups at positions 1, 2, 2, 4, 6 and 6, respectively (the 2R,3R,4S-stereoisomer). It is isolated from the grasshopper, Romalea microptera. It has the role of phytotoxin . It has the role of anti-inflammatory agent . It has the role of animal metabolite . It has the role of marine metabolite . It has the role of plant metabolite . It has the role of algal metabolite . It is also related to or classified as tertiary allylic alcohol  .  It is also related to or classified as diol  . It is also related to or classified as secondary alcohol  . It is also related to or classified as allenes  . It is also related to or classified as enone  . It is also related to or classified as cyclohexanols , methyl ketone .
The molecule CS(=O)(=O)NC1=CC2=C(C=C1)N=C(CN1CCC(CC3=CC=CC=C3)CC1)N2 CS(=O)(=O)NC1=CC2=C(C=C1)N=C(CN1CCC(CC3=CC=CC=C3)CC1)N2 is A member of the class of benzimidazoles that is 1H-benzimidazole substituted by (4-benzylpiperidin-1-yl)methyl and (methylsulfonyl)amino groups at positions 2 and 6, respectively. It is a potent antagonist of the GluN2B subunit of the N-methyl-D-aspartate (NMDA) receptor. It has the role of NMDA receptor antagonist . It has the role of neuroprotective agent .    It is also related to or classified as sulfonamide  . It is also related to or classified as benzenes , benzimidazoles , piperidines , tertiary amino compound .
The molecule [Sb-](Cl)(Cl)(Cl)(Cl)(Cl)Cl.[K+] [Sb-](Cl)(Cl)(Cl)(Cl)(Cl)Cl.[K+] is Kaliumhexachloroantimonat(V). It has the role of NMR chemical shift reference compound . It is also related to or classified as inorganic potassium salt .
The molecule COc1ccc(OC)c(c1)C(O)CNC(=O)C[NH3+] COc1ccc(OC)c(c1)C(O)CNC(=O)C[NH3+] is an ammonium ion resulting from the protonation of the primary amino group of midodrine. It is a conjugate acid of midodrine . It is also related to or classified as ammonium ion derivative .
The molecule [C@@]1(CC/C(/C)=C/COP(OP(=O)(O)O)(=O)O)([C@@H](CC[C@@]2([C@]1(C)CCCC2(C)C)[H])C)O [C@@]1(CC/C(/C)=C/COP(OP(=O)(O)O)(=O)O)([C@@H](CC[C@@]2([C@]1(C)CCCC2(C)C)[H])C)O is A diterpenyl phosphate that is the 15-O-diphospho derivative of peregrinol. Its functional parent is peregrinol . It is a conjugate acid of peregrinol diphosphate(3-) . It is also related to or classified as tertiary alcohol  . It is also related to or classified as labdane diterpenoid , diterpenyl phosphate .
The molecule CS(=O)(=O)NC1=CC2=C(C=C1)N=C(CC1=CC=C(OC3=CC=CC=C3)C=C1)N2 CS(=O)(=O)NC1=CC2=C(C=C1)N=C(CC1=CC=C(OC3=CC=CC=C3)C=C1)N2 is A member of the class of benzimidazoles that is 1H-benzimidazole substituted by 4-phenoxybenzyl and (methylsulfonyl)amino groups at positions 2 and 6, respectively. It is a potent antagonist of the GluN2B subunit of the N-methyl-D-aspartate (NMDA) receptor. It has the role of NMDA receptor antagonist . It has the role of neuroprotective agent .   It is also related to or classified as sulfonamide  . It is also related to or classified as benzenes , benzimidazoles , aromatic ether .
The molecule CC(C)[C@H]1CC[C@]2([C@@]1([H])C=CC(C)=CCCC(C)=CCCC(CC2)=C)C CC(C)[C@H]1CC[C@]2([C@@]1([H])C=CC(C)=CCCC(C)=CCCC(CC2)=C)C is A sesterterpene that is produced by a sesterterpene synthase from Streptomyces violens. It has the role of bacterial metabolite .  It is also related to or classified as sesterterpene  . It is also related to or classified as bicyclic compound , polycyclic olefin .
The molecule C(=O)(O)[C@H](CCC(C=[N+]=[N-])=O)N C(=O)(O)[C@H](CCC(C=[N+]=[N-])=O)N is A non-proteinogenic L-alpha-amino acid that is L-norleucine which is substituted at position 5 by an oxo group and at position 6 by a diazo group. It is as inhibitor of various glutamine-utilising enzymes. It has the role of EC 6.3.5.5 [carbamoyl-phosphate synthase (glutamine-hydrolysing)] inhibitor . It has the role of EC 6.3.4.2 [CTP synthase (glutamine hydrolyzing)] inhibitor . It has the role of EC 6.3.5.3 (phosphoribosylformylglycinamidine synthase) inhibitor . It has the role of EC 6.3.5.2 [GMP synthase (glutamine-hydrolysing)] inhibitor . It has the role of glutamine antagonist . It has the role of EC 2.4.2.14 (amidophosphoribosyltransferase) inhibitor . It has the role of EC 6.3.5.1 [NAD(+) synthase (glutamine-hydrolysing)] inhibitor . It has the role of EC 6.3.5.4 [asparagine synthase (glutamine-hydrolysing)] inhibitor . It has the role of antiviral agent . It has the role of antibacterial agent . It has the role of antimetabolite . It has the role of analgesic . It has the role of antineoplastic agent . It has the role of EC 3.5.1.2 (glutaminase) inhibitor . It has the role of apoptosis inducer . It has the role of bacterial metabolite . It is also related to or classified as ketone  . It is also related to or classified as diazo compound , non-proteinogenic L-alpha-amino acid .
The molecule [Al-] [Al-] is aluminide(1-). It is also related to or classified as monoatomic monoanion  . It is also related to or classified as monoatomic aluminium .
The molecule OC(C[C@H](C([H])=O)O)=O OC(C[C@H](C([H])=O)O)=O is A 4-oxo monocarboxylic acid that is 4-oxobutanoic acid in which the pro-R hydrogen at position 3 has been replaced by a hydroxy group. It is a conjugate acid of (3R)-3-hydroxy-4-oxobutanoate .  It is also related to or classified as secondary alcohol  .  It is also related to or classified as hydroxyaldehyde  . It is also related to or classified as aldehydic acid , 4-oxo monocarboxylic acid .
The molecule S(=O)(=O)(N1[C@H](C(SCC1)(C)C)C(=O)NO)C2=CC=C(OC3=CC=NC=C3)C=C2.[H+] S(=O)(=O)(N1[C@H](C(SCC1)(C)C)C(=O)NO)C2=CC=C(OC3=CC=NC=C3)C=C2.[H+] is an organic cation resulting from the protonation of prinomastat. It is a conjugate acid of prinomastat . It is also related to or classified as organic cation .
The molecule OC(=O)CC(=O)Nc1ccccc1C(O)=O OC(=O)CC(=O)Nc1ccccc1C(O)=O is N-malonylanthranilic acid. Its functional parent is anthranilic acid . It is a conjugate acid of N-malonylanthranilate . It is also related to or classified as dicarboxylic acid monoamide .
The molecule S(=O)(=O)(N1[C@H](C(SCC1)(C)C)C(=O)NO)C2=CC=C(OC3=CC=NC=C3)C=C2 S(=O)(=O)(N1[C@H](C(SCC1)(C)C)C(=O)NO)C2=CC=C(OC3=CC=NC=C3)C=C2 is A hydroxamic acid that is (3S)-N-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide in which the hydrogen attached to the thiomorpholine nitrogen has been replaced by a [4-(pyridin-4-yloxy)phenyl]sulfonyl group. It is a selective inhibitor with of matrix metalloproteinases (MMPs) 2, 3, 9, 13, and 14. It has the role of antineoplastic agent . It has the role of matrix metalloproteinase inhibitor . It has the role of EC 3.4.24.35 (gelatinase B) inhibitor .   It is also related to or classified as sulfonamide  . It is also related to or classified as hydroxamic acid , pyridines , aromatic ether , thiomorpholines .
The molecule CCCCCCCCCCCCCCCCCCCCCCC(O)CC CCCCCCCCCCCCCCCCCCCCCCC(O)CC is A secondary fatty alcohol that is pentacosane substituted by a hydroxy group at position 3. It is also related to or classified as secondary fatty alcohol  . It is also related to or classified as pentacosanol .
The molecule CC(=O)N[C@@H](CCCC(=O)OP([O-])([O-])=O)C([O-])=O CC(=O)N[C@@H](CCCC(=O)OP([O-])([O-])=O)C([O-])=O is an N-acyl-L-alpha-amino acid anion arising from deprotonation of the carboxy and phosphate OH groups of N-acetyl-L-2-aminoadipic acid 6-phosphate; major species at pH 7.3.  It is also related to or classified as N-acyl-L-alpha-amino acid anion  . It is also related to or classified as organophosphate oxoanion .
The molecule C=12C(=CC3=C4C1[C@]5([C@@](C(C2)=C)(C[C@@]5(C(O[C@]6([C@]7([C@](C(N3)=C46)([C@@]8([C@@](CC7)([C@]9%10[C@](CC8)(O[C@]%11([C@@]([C@H]9O%10)(OC%11(C)C)[H])[H])[H])O)C)C)[H])[H])(C)C)[H])[H])O)Cl C=12C(=CC3=C4C1[C@]5([C@@](C(C2)=C)(C[C@@]5(C(O[C@]6([C@]7([C@](C(N3)=C46)([C@@]8([C@@](CC7)([C@]9%10[C@](CC8)(O[C@]%11([C@@]([C@H]9O%10)(OC%11(C)C)[H])[H])[H])O)C)C)[H])[H])(C)C)[H])[H])O)Cl is Pennigritrem. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule O(C[C@]1(O[C@@H]([C@H]([C@@H]1O)O)CO)O)P([O-])(=O)[O-] O(C[C@]1(O[C@@H]([C@H]([C@@H]1O)O)CO)O)P([O-])(=O)[O-] is a D-fructofuranose 1-phosphate(2-) obtained by deprotonation of the phosphate OH groups of beta-D-fructofuranose 1-phosphate; major species at pH 7.3. It is also related to or classified as D-fructofuranose 1-phosphate(2-)  .
The molecule O1C(OC=2C3=C(C=C(O)C2)C=CCCCC(=O)CCCC(OC3=O)C)C(O)C(O)C(O)C1C(O)=O O1C(OC=2C3=C(C=C(O)C2)C=CCCCC(=O)CCCC(OC3=O)C)C(O)C(O)C(O)C1C(O)=O is 3,4,5-trihydroxy-6-[(14-hydroxy-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-16-yl)oxy]oxane-2-carboxylic acid. It is also related to or classified as macrolide  . It is also related to or classified as resorcinols .
The molecule N1C(N2[C@@]3([C@]([C@@H]1COC(NS(O)(=O)=O)=O)(NC(N3)=N)[H])C(CC2)(O)O)=N N1C(N2[C@@]3([C@]([C@@H]1COC(NS(O)(=O)=O)=O)(NC(N3)=N)[H])C(CC2)(O)O)=N is Gonyautoxin 5. It has the role of marine metabolite . It is also related to or classified as paralytic shellfish toxin  . It is also related to or classified as organic heterotricyclic compound .
The molecule CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\C=C\C=C(C)\C=C\C=C(/C)CC\C=C(/C)CCC=C(C)C CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\C=C\C=C(C)\C=C\C=C(/C)CC\C=C(/C)CCC=C(C)C is the all-trans-isomer of  phytofluene. It has the role of plant metabolite . It has the role of human xenobiotic metabolite . It is also related to or classified as phytofluene  .
The molecule C1=CC=C2C(=C1)C3=C(N2)[C@]4([C@](C3)(CC[C@@]5([C@@]4(CC[C@]6([C@]5([C@@H](C[C@H](O6)C(O)(C)C)O)C)[H])C)[H])[H])C C1=CC=C2C(=C1)C3=C(N2)[C@]4([C@](C3)(CC[C@@]5([C@@]4(CC[C@]6([C@]5([C@@H](C[C@H](O6)C(O)(C)C)O)C)[H])C)[H])[H])C is Terpendole E. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C3=C(OC(=CC3=O)C4=CC(OC)=C(OC)C(OC)=C4)C=C(OC)C2)CO O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C3=C(OC(=CC3=O)C4=CC(OC)=C(OC)C(OC)=C4)C=C(OC)C2)CO is Lethedoside B. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule [Al+] [Al+] is aluminium(1+). It is also related to or classified as monoatomic monocation  . It is also related to or classified as monoatomic aluminium , aluminium cation .
The molecule C1=CC=C2C(=C1)C3=C(N2)[C@]4([C@](C3)(CC[C@@]5([C@@]4(CC[C@]67C5=CC([C@H](O6)C(O7)(C)C)=O)C)O)[H])C C1=CC=C2C(=C1)C3=C(N2)[C@]4([C@](C3)(CC[C@@]5([C@@]4(CC[C@]67C5=CC([C@H](O6)C(O7)(C)C)=O)C)O)[H])C is Paspalinine. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule [H][C@@]1(OC(O[C@@H]2[C@@H](CO[C@H]3O[C@H](C)[C@@H](NC)[C@H](O[C@@H]4O[C@@H]([C@@H](OC5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H](NC(C)=O)[C@@H]4NC(C)=O)C(O)=O)[C@H]3NC(C)=O)O[C@H](C=O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](O)CO [H][C@@]1(OC(O[C@@H]2[C@@H](CO[C@H]3O[C@H](C)[C@@H](NC)[C@H](O[C@@H]4O[C@@H]([C@@H](OC5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H](NC(C)=O)[C@@H]4NC(C)=O)C(O)=O)[C@H]3NC(C)=O)O[C@H](C=O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](O)CO is A pentasaccharide derivative that comprises the distal pentasaccharide of the oligosaccharide segment of Bordetella pertussis strain 186 lipooligosaccharide. It is also related to or classified as pentasaccharide derivative .
The molecule [H][C@@]12O[C@]3([H])C=C(C)[C@H](C[C@]3(COC(C)=O)[C@@](C)([C@H](O)[C@H]1O)[C@]21CO1)OC(=O)CC(C)C [H][C@@]12O[C@]3([H])C=C(C)[C@H](C[C@]3(COC(C)=O)[C@@](C)([C@H](O)[C@H]1O)[C@]21CO1)OC(=O)CC(C)C is A trichothecene mycotoxin that is T-2 toxin in which the acetyloxy group at position 4S has been hydrolysed to the corresponding hydroxy group. It is the major metabolite of T-2 toxin. It has the role of apoptosis inducer . It has the role of fungal metabolite .  It is also related to or classified as acetate ester  . It is also related to or classified as trichothecene  . It is also related to or classified as organic heterotetracyclic compound .
The molecule C1O[C@]([C@H]([C@@H]([C@@H]1O)O)O)(O)C[NH2+][C@H](C([O-])=O)CCCC[NH3+] C1O[C@]([C@H]([C@@H]([C@@H]1O)O)O)(O)C[NH2+][C@H](C([O-])=O)CCCC[NH3+] is major species at pH 7.3. It is also related to or classified as polar amino acid zwitterion  .
The molecule CCn1cc(C(O)=O)c(=O)c2cc3OCOc3cc12 CCn1cc(C(O)=O)c(=O)c2cc3OCOc3cc12 is A quinolinemonocarboxylic acid having the carboxy group at position 7 as well as oxo and ethyl groups at positions 4 and 1 respectively and a dioxolo ring fused at the 5- and 6-positions. A synthetic antibiotic, it is used in veterinary medicine for the treatment of bacterial infections in cattle, pigs and poultry. It has the role of enzyme inhibitor . It has the role of antimicrobial agent . It has the role of antiinfective agent . It has the role of antifungal agent . It has the role of antibacterial drug . It is a conjugate acid of oxolinate . It is also related to or classified as quinolinemonocarboxylic acid , organic heterotricyclic compound , oxacycle , quinolone antibiotic , aromatic carboxylic acid .
The molecule C1O[C@]([C@H]([C@@H]([C@@H]1O)O)O)(O)C[NH2+]CCCC[C@@H](C([O-])=O)[NH3+] C1O[C@]([C@H]([C@@H]([C@@H]1O)O)O)(O)C[NH2+]CCCC[C@@H](C([O-])=O)[NH3+] is major species at pH 7.3. It is also related to or classified as polar amino acid zwitterion  .
The molecule [H][C@@]1(CCCCCCCC(C)C)CC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O1 [H][C@@]1(CCCCCCCC(C)C)CC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O1 is A cyclodepsipeptide that is N-[(3R)-3-hydroxy-11-methyldodecanoyl]-L-alpha-glutamyl-L-leucyl-D-leucyl-L-valyl-L-alpha-aspartyl-D-leucyl-L-leucine in which the C-terminal carboxy group has been lactonised by condensation with the alcoholic hydroxy group. It has the role of antiviral agent . It has the role of metabolite . It has the role of antibacterial agent . It has the role of surfactant . It has the role of antineoplastic agent . It has the role of antifungal agent .  It is also related to or classified as cyclodepsipeptide  . It is also related to or classified as lipopeptide antibiotic , macrocyclic lactone .
The molecule O1C(OC=2C(O)=C(C(C(=O)C3=C(O)C=C(O)C=C3O)C)C=CC2OC)C(O)C(O)C(O)C1C(O)=O O1C(OC=2C(O)=C(C(C(=O)C3=C(O)C=C(O)C=C3O)C)C=CC2OC)C(O)C(O)C(O)C1C(O)=O is 3,4,5-trihydroxy-6-{2-hydroxy-6-methoxy-3-[1-oxo-1-(2,4,6-trihydroxyphenyl)propan-2-yl]phenoxy}oxane-2-carboxylic acid. It is also related to or classified as glycoside  . It is also related to or classified as stilbenoid .
The molecule C=12C=CC3=C4C1[C@]5([C@@](C(C2)=C)(C[C@@]5(C(O[C@]6([C@]7([C@](C(N3)=C46)([C@@]8([C@@](CC7)(C=9[C@](CC8)(O[C@@H]([C@@H](C9)O)C(=C)C)[H])O)C)C)[H])[H])(C)C)[H])[H])[H] C=12C=CC3=C4C1[C@]5([C@@](C(C2)=C)(C[C@@]5(C(O[C@]6([C@]7([C@](C(N3)=C46)([C@@]8([C@@](CC7)(C=9[C@](CC8)(O[C@@H]([C@@H](C9)O)C(=C)C)[H])O)C)C)[H])[H])(C)C)[H])[H])[H] is Penitrem D. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .