anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CCCC(C(C(=O)O)O)C(=O)O is a dicarboxylic acid that is malic acid in which one of the hydrogens at position 3 is substituted by a propyl group. It is a dicarboxylic acid, a 2-hydroxy carboxylic acid and a 3-hydroxy carboxylic acid. It derives from a succinic acid. It is a conjugate acid of a 3-propylmalate(2-).
The molecule O1C(OC2C(O)C(NC)C(OC)CC2N)C(N)CCC1CNC O1C(OC2C(O)C(NC)C(OC)CC2N)C(N)CCC1CNC is Sannamycin C. It is also related to or classified as glycoside  . It is also related to or classified as amino cyclitol .
The molecule CN1[C@@H](Cc2ccc(Oc3cc4cc(-c5ccc6c(NC(=O)C6(O)C[C@@H](NC(=O)C(=O)c6cc(Cl)c(O)c(Cl)c6)C(=O)N[C@@H](C(=O)N[C@H]4C(=O)N[C@@H](C1=O)c1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)c(O)c(Cl)c1)c5)c3O)cc2)C(=O)N[C@@H](C(O)=O)c1ccc(O)cc1 CN1[C@@H](Cc2ccc(Oc3cc4cc(-c5ccc6c(NC(=O)C6(O)C[C@@H](NC(=O)C(=O)c6cc(Cl)c(O)c(Cl)c6)C(=O)N[C@@H](C(=O)N[C@H]4C(=O)N[C@@H](C1=O)c1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)c(O)c(Cl)c1)c5)c3O)cc2)C(=O)N[C@@H](C(O)=O)c1ccc(O)cc1 is A heterodetic cyclic peptide that is chloropeptin II in which the indole moiety is oxidised to the corresponding 3-hydroxy-2-oxindole. It is a HIV-1 integrase inhibitor isolated from Streptomyces. It has the role of metabolite . It has the role of HIV-1 integrase inhibitor .    It is also related to or classified as organochlorine compound  . It is also related to or classified as heterodetic cyclic peptide , indoles , polyphenol , cyclic ether .
The molecule CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[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)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O[C@@]5(C[C@@H]([C@H]([C@@H](O5)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)O[C@@]6(C[C@@H]([C@H]([C@@H](O6)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)NC(=O)CCCCCCCCCCCCC/C=C\\CCCCCCCC)O is a sialopentaosylceramide consisting of a alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glucosyl unit attached to a Cer(d18:1/24:1(15Z)). It has a role as a mouse metabolite.
The molecule CC(=C)C1CCC(=CC1)C=O is an aldehyde that is cyclohex-1-ene-1-carbaldehyde substituted by a prop-1-en-2-yl group at position 4. It has a role as a mouse metabolite, a human metabolite and a volatile oil component. It is an olefinic compound and an aldehyde.
The molecule C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](OP(O)(O)=O)[C@H]3O)[C@@H](CO)O[C@H]2O[C@H]2[C@H](C)O[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](OP(O)(O)=O)[C@H]3O)[C@@H](CO)O[C@H]2O[C@H]2[C@H](C)O[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O is A branched tetrasaccharide derivative consisting of beta-L-rhamnose having a 3-O-phosphono-beta-D-glucosyl-(1->4)-[alpha-L-rhamnosyl-(1->2)]-beta-D-galactosyl moiety attached at the 4-position. It is also related to or classified as oligosaccharide phosphate , tetrasaccharide derivative .
The molecule C[C@H]([C@@H]1C2=C(C(=O)C[C@]1(C)O)C(=C3C(=C2)C=CC(=C3O)C4=C(C5=C(C6=C(C=C5C=C4)[C@H]([C@@](CC6=O)(C)O)[C@@H](C)OC(=O)C)O)[O-])O)OC(=O)C is a phenolate anion resulting from the deprotonation of the hydroxy group on the middle ring of one of the two dihydroanthracene groups of julichrome Q6-6. The major species at pH 7.3. It is a conjugate base of a julichrome Q6-6.
The molecule OC[C@H](O)[C@@H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CO OC[C@H](O)[C@@H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CO is an alpha-D-glucoside consisting of D-glucitol having an alpha-D-glucosyl residue attached at the 4-position. Used as a sugar substitute. It has the role of metabolite . It has the role of laxative . It has the role of sweetening agent . Its functional parent is D-glucitol . Its functional parent is alpha-D-glucose . It is also related to or classified as alpha-D-glucoside  . It is also related to or classified as glycosyl alditol .
The molecule C(CCNCCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N)CN is the spermidine amide of glutathione. It has a role as an Escherichia coli metabolite. It derives from a spermidine. It is a conjugate base of a glutathionylspermidinium(2+).
The molecule CC(C)CC#CC1=CC=C(C=C1)[C@@H]2[C@H]3CN(CCCCN3[C@H]2CO)S(=O)(=O)C4=CC=CC(=C4)OC CC(C)CC#CC1=CC=C(C=C1)[C@@H]2[C@H]3CN(CCCCN3[C@H]2CO)S(=O)(=O)C4=CC=CC(=C4)OC is [(8S,9R,10R)-6-(3-methoxyphenyl)sulfonyl-9-[4-(4-methylpent-1-ynyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule [H][C@]1(Cc2ccc(Oc3cc4cc(-c5ccc6C(C[C@@H](NC(=O)C(=O)c7cc(Cl)c(O)c(Cl)c7)C(=O)N[C@@H](C(=O)N[C@@]4([H])C(=O)N[C@@H](C(=O)N1C)c1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)c(O)c(Cl)c1)C(=O)Nc6c5)c3O)cc2)C(=O)N[C@@H](C(O)=O)c1ccc(O)cc1 [H][C@]1(Cc2ccc(Oc3cc4cc(-c5ccc6C(C[C@@H](NC(=O)C(=O)c7cc(Cl)c(O)c(Cl)c7)C(=O)N[C@@H](C(=O)N[C@@]4([H])C(=O)N[C@@H](C(=O)N1C)c1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)c(O)c(Cl)c1)C(=O)Nc6c5)c3O)cc2)C(=O)N[C@@H](C(O)=O)c1ccc(O)cc1 is A heterodetic cyclic peptide that is chloropeptin II in which the indole moiety is oxidised to the corresponding 2-oxindole. It is a HIV-1 integrase inhibitor isolated from Streptomyces. It has the role of metabolite . It has the role of HIV-1 integrase inhibitor .    It is also related to or classified as organochlorine compound  . It is also related to or classified as heterodetic cyclic peptide , indoles , polyphenol , cyclic ether .
The molecule COC1=CC(=CC(=C1)O)/C=C/C2=C(C(=C(C=C2)O)OC)OC is a stilbenoid that is trans-stilbene substituted by hydroxy groups at positions 3 and 4' and methoxy groups at positions 2', 3' and 5. Isolated from Pholidota yunnanensis, it exhibits inhibitory effects on production of nitric oxide. It has a role as a metabolite and an EC 1.14.13.39 (nitric oxide synthase) inhibitor. It is a member of methoxybenzenes, a polyphenol and a stilbenoid.
The molecule C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@H]2[C@H](C)O[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@H]2[C@H](C)O[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O is A trisaccharide composed of an alpha-L-rhamnosyl residue linked (1->2) to a beta-D-galactosyl residue which is in turn linked (1->4) to beta-L-rhamnose. It is also related to or classified as trisaccharide .
The molecule C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)O)O)O)O)NC(=O)C)O)O is a branched amino pentasaccharide consisting of a tetrasaccharide chain of alpha-D-glucose, alpha-L-rhamnose, N-acetyl-beta-D-glucosamine and alpha-L-rhamnose residues linked sequentially (1->4), (1->3) and (1->2), to the non-reducing rhamnose residue of which is also linked (1->3) a further alpha-L-rhamnose residue. Derived from the Shigella liposaccharide O-antigen, it shows antigenic properties. It has a role as an antigen.
The molecule CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O is A linear amino trisaccharide comprised of two beta(1->4)-linked galactose residues linked beta(1->3) to N-acetyl-alpha-D-galactosamine. It is also related to or classified as galactosamine oligosaccharide , amino trisaccharide .
The molecule CCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-].[Zn+2] is a dithiocarbamate salt that is the zinc salt of diethyldithiocarbamic acid. It is an accelerator and activator for natural rubber. It has a role as an antifungal agrochemical. It is a dithiocarbamate salt and a zinc molecular entity. It contains a diethyldithiocarbamate and a zinc(2+). It derives from a diethyldithiocarbamic acid.
The molecule OC(=O)C(CCCCC)C=C OC(=O)C(CCCCC)C=C is 2-amyl 3-butenoic acid. It is also related to or classified as medium-chain fatty acid  .
The molecule [H][C@]1(COc2cc(C)ccc2[C@H]1O)c1ccccc1OC [H][C@]1(COc2cc(C)ccc2[C@H]1O)c1ccccc1OC is A member of the class of isoflavans that is isoflavan with a hydroxy group at position 4, a methyl group at position 7 and a methoxy group at position 2'   (the 3R,4S stereoisomer). It is isolated from Caragana conferta and exhibits significant anti-inflammatory activity in the respiratory burst assay. It has the role of metabolite . It has the role of anti-inflammatory agent .  It is also related to or classified as secondary alcohol  . It is also related to or classified as monomethoxybenzene , hydroxyisoflavans , methoxyisoflavan .
The molecule C[C@@H]1[C@H](C[C@H]([C@H](O1)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)O)O is a CDP-3,6-dideoxy-D-glucose(2-) in which the anomeric centre of the pyranose fragment has alpha-configuration. It is a conjugate base of a CDP-3,6-dideoxy-alpha-D-glucose.
The molecule C[C@H]1CC[C@@H](O[C@H]1[C@@H](C)C(=O)O)C[C@@H]2C[C@H]([C@H]([C@@]3(O2)[C@@H](C[C@@](O3)(C)[C@H]4CC[C@@](O4)(C)[C@H]5[C@H](C[C@@H](O5)[C@@H]6[C@H](C[C@H]([C@@](O6)(CO)O)C)C)C)C)C)OC is a polyether antibiotic which affects ion transport and ATPase activity in mitochondria. It is produced by Streptomyces hygroscopicus. It has a role as an antimicrobial agent, an antibacterial agent, a potassium ionophore and a bacterial metabolite.
The molecule CC(=O)N[C@H]1[C@H](O)O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O[C@@H]9O[C@H](CO)[C@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7NC(C)=O)[C@H]6O)[C@H](O)[C@H]5O)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O CC(=O)N[C@H]1[C@H](O)O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O[C@@H]9O[C@H](CO)[C@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7NC(C)=O)[C@H]6O)[C@H](O)[C@H]5O)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O is A branched glucosamine oligosaccharide comprising three beta-D-galactosyl-(1->4)-[beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1->6)]-N-acetyl-beta-D-glucosamine tetrasaccharide units connected via (1->3) head-to-tail linkages. It is also related to or classified as glucosamine oligosaccharide .
The molecule CC(=CCC1=C2C(=C(C3=C1OC(C=C3)(C)C)OC)C(=C(C(=O)O2)C4=CC=C(C=C4)OC)O)C is a hydroxycoumarin that is 2H,8H-benzo[1,2-b:5,4-b']dipyran-2-one substituted by a hydroxy group at position 4, a methoxy group at position 5, 4-methoxyphenyl group at position 3 and two methyl groups at position 8 respectively. It has a role as a plant metabolite and an antiprotozoal drug. It is a hydroxycoumarin and a monomethoxybenzene.
The molecule [H]C(=O)N[C@@H]1[C@@H](C)O[C@@H](O[C@@H]2[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]3[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@H]4[C@H](O)[C@@H](C)O[C@@H](O[C@@H]5[C@@H](O)[C@H](NC([H])=O)[C@@H](C)O[C@H]5O[C@@H]5[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]6[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@H]7[C@H](O)[C@@H](C)O[C@@H](O[C@@H]8[C@@H](O)[C@H](NC([H])=O)[C@@H](C)O[C@H]8O[C@@H]8[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]9[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@H]%10[C@H](O)[C@@H](C)O[C@@H](O[C@@H]%11[C@@H](CO)O[C@@H](O[C@H]%12[C@H](O)[C@H](O[C@@H]%13O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%13O)[C@H](O[C@@H]%12CO)O[C@@H]%12[C@H](O)C[C@@](O)(O[C@]%12([H])[C@H](O)CO)C(O)=O)[C@@H](O[C@H]%12O[C@H](CO)[C@H](O)[C@H](O)[C@H]%12N)[C@H]%11O[C@H]%11O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%11O)[C@@H]%10NC(C)=O)O[C@@H]9C(N)=O)O[C@@H]8C(N)=O)[C@@H]7NC(C)=O)O[C@@H]6C(N)=O)O[C@@H]5C(N)=O)[C@@H]4NC(C)=O)O[C@@H]3C(N)=O)O[C@@H]2C(N)=O)[C@H](O)[C@H]1O [H]C(=O)N[C@@H]1[C@@H](C)O[C@@H](O[C@@H]2[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]3[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@H]4[C@H](O)[C@@H](C)O[C@@H](O[C@@H]5[C@@H](O)[C@H](NC([H])=O)[C@@H](C)O[C@H]5O[C@@H]5[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]6[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@H]7[C@H](O)[C@@H](C)O[C@@H](O[C@@H]8[C@@H](O)[C@H](NC([H])=O)[C@@H](C)O[C@H]8O[C@@H]8[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]9[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@H]%10[C@H](O)[C@@H](C)O[C@@H](O[C@@H]%11[C@@H](CO)O[C@@H](O[C@H]%12[C@H](O)[C@H](O[C@@H]%13O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%13O)[C@H](O[C@@H]%12CO)O[C@@H]%12[C@H](O)C[C@@](O)(O[C@]%12([H])[C@H](O)CO)C(O)=O)[C@@H](O[C@H]%12O[C@H](CO)[C@H](O)[C@H](O)[C@H]%12N)[C@H]%11O[C@H]%11O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%11O)[C@@H]%10NC(C)=O)O[C@@H]9C(N)=O)O[C@@H]8C(N)=O)[C@@H]7NC(C)=O)O[C@@H]6C(N)=O)O[C@@H]5C(N)=O)[C@@H]4NC(C)=O)O[C@@H]3C(N)=O)O[C@@H]2C(N)=O)[C@H](O)[C@H]1O is an amino oligosaccharide that is a branched tetradecasaccharide derivative comprised of a mannose residue to which is linked an N-acetylgalactosaminyl residue at O-2, a glucosyl residue at O-3 and a beta-D-QuiN4Fm-(1->4)-alpha-D-GalNAcAN-(1->2)-alpha-D-GalNAcAN-(1->3)-beta-D-QuiNAc-(1->2)-beta-D-QuiN4Fm-(1->4)-alpha-D-GalNAcAN-(1->2)-alpha-D-GalNAcAN-(1->3)-beta-D-QuiNAc-(1->2)-beta-D-QuiN4Fm-(1->4)-alpha-D-GalNAcAN-(1->4)-alpha-D-GalNAcAN-(1->3)-beta-D-QuiNAc dodecasaccharide chain at O-4, all linked to an [alpha-D-Glc-(1->2)]-alpha-D-Man-(1->5)-alpha-Kdo branched trisaccharide unit. It is also related to or classified as galactosamine oligosaccharide , amino oligosaccharide .
The molecule CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)O)NC(=O)[C@@H]3CCC(=O)N3 is a 7 amino acid peptide fragment of neurotensin. It has a role as a human metabolite. It is a conjugate acid of a neurotensin (1-7)(1-).
The molecule [H][C@]1(COc2cc(O)ccc2[C@H]1O)c1ccc(O)cc1OC [H][C@]1(COc2cc(O)ccc2[C@H]1O)c1ccc(O)cc1OC is A member of the class of isoflavans that is isoflavan with hydroxy substituents at positions 4, 7 and 4' and a methoxy group at position 2 (the 3R,4S stereoisomer). It is isolated from Caragana conferta and exhibits significant anti-inflammatory activity in the respiratory burst assay. It has the role of metabolite . It has the role of anti-inflammatory agent .  It is also related to or classified as secondary alcohol  . It is also related to or classified as monomethoxybenzene , hydroxyisoflavans .
The molecule COC1=CC(=C(C=C1)C(=O)O)NC(=O)C2=CC=CC=C2 is a member of the class of benzamides that results from the formal condensation of benzoic acid with the amino group of 4-methoxyanthranilic acid. It is a monocarboxylic acid, a member of benzoic acids and a member of benzamides. It derives from an anthranilic acid. It is a conjugate acid of a N-benzoyl-4-methoxyanthranilate.
The molecule C[C@@H]1O[C@@H](O[C@H]2[C@H](O)O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](OP(O)(O)=O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O C[C@@H]1O[C@@H](O[C@H]2[C@H](O)O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](OP(O)(O)=O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O is an oligosaccharide phosphate consisting of beta-D-galactose having 3-O-phosphono-beta-D-glucosyl and alpha-L-rhamnosyl residues attached at positions 4 and 2 respectively. It is also related to or classified as oligosaccharide phosphate , trisaccharide derivative .
The molecule [H]C(=O)N[C@@H]1[C@@H](C)O[C@@H](O[C@@H]2[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]3[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@H]4[C@H](O)[C@@H](C)O[C@@H](O[C@@H]5[C@@H](O)[C@H](NC([H])=O)[C@@H](C)O[C@H]5O[C@@H]5[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]6[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@H]7[C@H](O)[C@@H](C)O[C@@H](O[C@@H]8[C@@H](CO)O[C@@H](O[C@H]9[C@H](O)[C@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@H](O[C@@H]9CO)O[C@@H]9[C@H](O)C[C@@](O)(O[C@]9([H])[C@H](O)CO)C(O)=O)[C@@H](O[C@H]9O[C@H](CO)[C@H](O)[C@H](O)[C@H]9N)[C@H]8O[C@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H]7NC(C)=O)O[C@@H]6C(N)=O)O[C@@H]5C(N)=O)[C@@H]4NC(C)=O)O[C@@H]3C(N)=O)O[C@@H]2C(N)=O)[C@H](O)[C@H]1O [H]C(=O)N[C@@H]1[C@@H](C)O[C@@H](O[C@@H]2[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]3[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@H]4[C@H](O)[C@@H](C)O[C@@H](O[C@@H]5[C@@H](O)[C@H](NC([H])=O)[C@@H](C)O[C@H]5O[C@@H]5[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]6[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@H]7[C@H](O)[C@@H](C)O[C@@H](O[C@@H]8[C@@H](CO)O[C@@H](O[C@H]9[C@H](O)[C@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@H](O[C@@H]9CO)O[C@@H]9[C@H](O)C[C@@](O)(O[C@]9([H])[C@H](O)CO)C(O)=O)[C@@H](O[C@H]9O[C@H](CO)[C@H](O)[C@H](O)[C@H]9N)[C@H]8O[C@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H]7NC(C)=O)O[C@@H]6C(N)=O)O[C@@H]5C(N)=O)[C@@H]4NC(C)=O)O[C@@H]3C(N)=O)O[C@@H]2C(N)=O)[C@H](O)[C@H]1O is an amino oligosaccharide that is a branched tetradecasaccharide derivative comprised of a mannose residue to which is linked an N-acetylgalactosaminyl residue at O-2, a glucosyl residue at O-3 and a beta-D-QuiN4Fm-(1->4)-alpha-D-GalNAcAN-(1->2)-alpha-D-GalNAcAN-(1->3)-beta-D-QuiNAc-(1->2)-beta-D-QuiN4Fm-(1->4)-alpha-D-GalNAcAN-(1->4)-alpha-D-GalNAcAN-(1->3)-beta-D-QuiNAc octasaccharide chain at O-4, all linked to an [alpha-D-Glc-(1->2)]-alpha-D-Man-(1->5)-alpha-Kdo branched trisaccharide unit. It is also related to or classified as galactosamine oligosaccharide , amino oligosaccharide .
The molecule C1=C(C(=O)NC(=O)N1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O is a C-nucleoside phosphate consisting of pseudouridine having a monophosphate group at the 5'-position. It derives from a pseudouridine. It is a conjugate acid of a pseudouridine 5'-phosphate(2-).
The molecule C1CCN(CC1)CCCC(C2=CC=CC=C2)(C3=CC=CC=C3)O is a tertiary alcohol that is butan-1-ol substituted by two phenyl groups at position 1 and a piperidin-1-yl group at position 4. It has a role as an antiemetic. It is a member of piperidines, a tertiary alcohol and a member of benzenes.
The molecule COc1cc(C\C=C/Cc2cc(O)c(Br)c(O)c2)c(O)cc1Br COc1cc(C\C=C/Cc2cc(O)c(Br)c(O)c2)c(O)cc1Br is an organobromine compound that is 2-bromobenzene-1,3-diol substituted at position 5 by a (2Z)-4-(4-bromo-2-hydroxy-5-methoxyphenyl)but-2-en-1-yl group. It is isolated from the Red Sea alga Colpomenia sinuosa and exhibits cytotoxicity towards P388, A549, HT-29 and CV-1 tumor cells. It has the role of metabolite . It has the role of antineoplastic agent .   It is also related to or classified as organobromine compound  . It is also related to or classified as polyphenol , aromatic ether .
The molecule C1CCN2[C@@H](CN(C1)CC3=CC=CC=N3)[C@H]([C@@H]2CO)C4=CC=C(C=C4)Br C1CCN2[C@@H](CN(C1)CC3=CC=CC=N3)[C@H]([C@@H]2CO)C4=CC=C(C=C4)Br is [(8R,9R,10R)-9-(4-bromophenyl)-6-(2-pyridinylmethyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N)N is a member of the class of mastopyrans that is a 14-amino acid polypeptide comprising isoleucyl, asparaginyl, leucyl, lysyl, alanyl, leucyl, alanyl, alanyl, leucyl, alanyl, lysyl, lysyl, isoleucyl, and leucinamide residues coupled in sequence. It is the major active component of the venom of the vespid wasp, Vespula lewisii and causes degranulation of mast cells. It has a role as an antimicrobial agent. It is a member of mastoparans and a peptidyl amide.
The molecule CC(=O)N[C@H]1[C@H](O)O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O CC(=O)N[C@H]1[C@H](O)O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O is A branched amino octasaccharide comprising two beta-D-galactosyl-(1->4)-[beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1->6)]-N-acetyl-beta-D-glucosamine tetrasaccharide units connected via a (1->3) linkage. It is also related to or classified as glucosamine oligosaccharide , amino octasaccharide .
The molecule O1C(CCC=2C1=C(C(=C(C2)O[C@@H]3O[C@H](C(O)=O)[C@H]([C@H](O)[C@H]3O)O)C)C)(CCC(=O)O)C O1C(CCC=2C1=C(C(=C(C2)O[C@@H]3O[C@H](C(O)=O)[C@H]([C@H](O)[C@H]3O)O)C)C)(CCC(=O)O)C is A member of the class of chromanes that is gamma-CEHC in which the phenolic hydrogen is replaced by a beta-glucuronosyl residue. It has the role of human metabolite . Its functional parent is gamma-CEHC . It is a conjugate acid of gamma-CEHC beta-glucuronide anion . It is also related to or classified as beta-D-glucosiduronic acid , chromanes , dicarboxylic acid .
The molecule C[C@](O)(CCCCCCCCCCCCc1ccccc1)C[C@@]1(C)OC(=O)C[C@H]1O C[C@](O)(CCCCCCCCCCCCc1ccccc1)C[C@@]1(C)OC(=O)C[C@H]1O is A butan-4-olide that is dihydrofuran-2(3H)-one substituted by a hydroxy group at position 4, a 2-hydroxy-2-methyl-14-phenyltetradecyl group at position 5 and a methyl group at position 5 (the 4R,5R stereoisomer). It is isolated from the Australian marine sponge Plakinastrella clathrata. It has the role of metabolite .  It is also related to or classified as diol  . It is also related to or classified as butan-4-olide .
The molecule C1CN=C(N1)CC2=CC=CC=C2 is a member of the class of imidazoles that is 4,5-dihydro-1H-imidazole substituted by a benzyl group. It has a role as an alpha-adrenergic antagonist, an antihypertensive agent and a vasodilator agent.
The molecule CC(C)C#CC1=CC=C(C=C1)[C@H]2[C@H]3CN(CC(=O)N3[C@@H]2CO)C(=O)CC4=CC=CC=C4 CC(C)C#CC1=CC=C(C=C1)[C@H]2[C@H]3CN(CC(=O)N3[C@@H]2CO)C(=O)CC4=CC=CC=C4 is (6S,7S,8S)-8-(hydroxymethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-4-(1-oxo-2-phenylethyl)-1,4-diazabicyclo[4.2.0]octan-2-one. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule [H][C@]1(OC(=O)C(C)=C[C@H]1O)[C@@H](C)[C@@]1([H])C[C@@H](OC(C)=O)[C@@]2(C)C3=C(CC[C@]12C)C=C1C=CC(=O)OC(C)(C)[C@]1([H])CC3 [H][C@]1(OC(=O)C(C)=C[C@H]1O)[C@@H](C)[C@@]1([H])C[C@@H](OC(C)=O)[C@@]2(C)C3=C(CC[C@]12C)C=C1C=CC(=O)OC(C)(C)[C@]1([H])CC3 is A tetracyclic triterpenoid that is A,B-dihomo-19-nor-4-oxalanosta-1,8,19,24-tetraen-26,22-olide substituted by an acetoxy group at position 15, a hydroxy group at position 23 and an oxo group at position 3 (the 22S, 23R stereoisomer). It is isolated from the fruiting bodies of the Vietnamese mushroom Ganoderma colossum and displays inhibitory activity towards the enzyme HIV protease. It has the role of metabolite . It has the role of HIV protease inhibitor . It is also related to or classified as delta-lactone  .  It is also related to or classified as secondary alcohol  . It is also related to or classified as acetate ester  . It is also related to or classified as tetracyclic triterpenoid , epsilon-lactone .
The molecule C1C[NH+](CC=C1C2=CC=CC=C2)CCCCC3=CNC4=C3C=C(C=C4)C(=O)O is an organic cation that is the conjugate acid of carmoxirole, arising from protonation of the tertiary amino group. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of a carmoxirole.
The molecule CN(C)C1=CC=C(C=C1)C(=C2C=CC(=N)C=C2)C3=CC=C(C=C3)N(C)C.Cl is a hydrochloride obtained by combining Methyl violet 2B free base with one equivalent of hydrochloric acid. Used in Gram's stain for the demonstration and primary classification of bacteria as well as to demonstrate amyloid. It has a role as a fluorochrome, a histological dye, an EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor, an antineoplastic agent and a mutagen. It contains a Methyl violet 2B(1+).
The molecule C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)OC(=O)C)O)O is a monosaccharide derivative that is the 2-O-acetyl derivative of alpha-L-rhamnose. It is an O-acyl carbohydrate and a monosaccharide derivative. It derives from an alpha-L-rhamnopyranose.