anonymous041/ChEBI-Augmented huggingface dataset:
The molecule S1[C@@]23N(C(=O)[C@]4(SC)C[C@H]5[C@H](N4C2=O)[C@@H](O)CC[C@@H]5O)[C@H]6[C@@H](C3)C([C@@H]1C[C@@H]6O)=O S1[C@@]23N(C(=O)[C@]4(SC)C[C@H]5[C@H](N4C2=O)[C@@H](O)CC[C@@H]5O)[C@H]6[C@@H](C3)C([C@@H]1C[C@@H]6O)=O is Epicoccin P. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C12=C(C=CC=C1)NC=3[C@]([C@@]4(/C(/CN(CC4)CCC32)=C\C)[H])(C(=O)OC)COC(C)=O C12=C(C=CC=C1)NC=3[C@]([C@@]4(/C(/CN(CC4)CCC32)=C\C)[H])(C(=O)OC)COC(C)=O is an acetate ester resulting from the formal condensation of the hydroxy group of 15alpha-stemmadenine with the carboxy group of acetic acid. It is also related to or classified as methyl ester  .  It is also related to or classified as acetate ester  . It is also related to or classified as organic heterotetracyclic compound , monoterpenoid indole alkaloid .
The molecule CC(=O)[C@H]1CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C is a 11beta-hydroxy steroid that is progesterone substituted by a beta-hydroxy group at position 11. It has a role as a human metabolite and a mouse metabolite. It derives from a progesterone.
The molecule O=C1[C@@H]([C@@H](CC(=O)O)CC1)C(O)/C=C\CC O=C1[C@@H]([C@@H](CC(=O)O)CC1)C(O)/C=C\CC is (-)-8-hydroxyjasmonic acid. Its functional parent is jasmonic acid . It is also related to or classified as lipid  .
The molecule CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)/C=C/C3=C(C=[N+](C=C3)CCCCCC(=O)O)S(=O)(=O)[O-] is an iminium betaine that consists of 4-{2-[7-(diethylamino)-2-oxo-2H-chromen-3-yl]ethenyl}pyridine-3-sulfonate carryiing a 5-carboxypentyl substituent on the pyridine nitrogen. It has a role as a fluorochrome. It is an iminium betaine and an aminochromene.
The molecule [H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C([O-])=O)[C@]1([H])[C@@]3(C)CCC[C@@]21OC3=O [H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C([O-])=O)[C@]1([H])[C@@]3(C)CCC[C@@]21OC3=O is conjugate base of gibberellin A20. It is also related to or classified as gibberellin carboxylic acid anion .
The molecule C12=C(C=CC=C1)NC=3[C@]([C@@]4(/C(/C[NH+](CC4)CCC32)=C\C)[H])(C(=O)OC)COC(C)=O C12=C(C=CC=C1)NC=3[C@]([C@@]4(/C(/C[NH+](CC4)CCC32)=C\C)[H])(C(=O)OC)COC(C)=O is an ammonium ion resulting from the protonation of the tertiary amino group of O-acetyl-15alpha-stemmadenine. The major species at pH 7.3. It is a conjugate acid of O-acetyl-15alpha-stemmadenine . It is also related to or classified as ammonium ion derivative .
The molecule O1[C@H](C([O-])=O)[C@H]([C@H](O)[C@H]([C@@H]1N2C=CC(=NC2=O)N)O)O O1[C@H](C([O-])=O)[C@H]([C@H](O)[C@H]([C@@H]1N2C=CC(=NC2=O)N)O)O is A carbohydrate acid derivative anion that is the conjugate base of cytosylglucuronic acid, obtained by deprotonation of the carboxy group. It has the role of bacterial metabolite . It is also related to or classified as carbohydrate acid derivative anion .
The molecule [H][C@]1(C[C@]2([H])C(=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@]2([H])C=C)C(=O)OC)N(CCC2=C1C=C(O)C(O)=C2)C(C)=O [H][C@]1(C[C@]2([H])C(=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@]2([H])C=C)C(=O)OC)N(CCC2=C1C=C(O)C(O)=C2)C(C)=O is ipecoside. It has the role of plant metabolite . Its functional parent is ipecoside aglycone .  It is also related to or classified as beta-D-glucoside  .   It is also related to or classified as methyl ester  . It is also related to or classified as acetamides , isoquinoline alkaloid , isoquinolinol , terpene glycoside , olefinic compound .
The molecule CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCCCC is a phosphatidylcholine O-38:1 in which the alkyl and acyl groups at positions 1 and 2 are octadecyl and (9Z)-eicosenoyl respectively. It is a phosphatidylcholine O-38:1 and a 2-acyl-1-alkyl-sn-glycero-3-phosphocholine. It derives from a gadoleic acid.
The molecule NC(=O)c1ncn([C@@H]2O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]2O)c1NC=NCC(=O)[C@H](O)[C@H](O)COP([O-])([O-])=O NC(=O)c1ncn([C@@H]2O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]2O)c1NC=NCC(=O)[C@H](O)[C@H](O)COP([O-])([O-])=O is an organophosphate oxoanion that is the tetraanionic form of 5-[(5-phospho-1-deoxy-D-ribulos-1-ylimino)methylamino]-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide. It has the role of Saccharomyces cerevisiae metabolite . It is also related to or classified as organophosphate oxoanion .
The molecule C1=C(C=CC(=C1)S([N-]C(OC)=O)(=O)=O)N.[Na+] C1=C(C=CC(=C1)S([N-]C(OC)=O)(=O)=O)N.[Na+] is an organic sodium salt obtained by formal reaction of equimolar amounts of azulam and sodium. A dihydropteroate synthase inhibitor, it is used as a herbicide (mainly for killing bracken). It has the role of herbicide . It has the role of agrochemical . It has the role of EC 2.5.1.15 (dihydropteroate synthase) inhibitor . It is also related to or classified as organic sodium salt .
The molecule [H]C([H])([H])[H] [H]C([H])([H])[H] is A one-carbon compound in which the carbon is attached by single bonds to four hydrogen atoms. It is a colourless, odourless, non-toxic but flammable gas (b.p. -161degreeC). It has the role of fossil fuel . It has the role of greenhouse gas . It has the role of bacterial metabolite . It is a conjugate acid of methanide .  It is also related to or classified as alkane  . It is also related to or classified as gas molecular entity , mononuclear parent hydride , one-carbon compound .
The molecule C[C@]12C[C@H]([C@@H](C=C1CC[C@@H]3[C@@H]2CC(=O)[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O[C@H]6[C@H]([C@H](CCO6)OC)O)O is a cardenolide glycoside that is carda-4,20(22)-dienolide substituted by hydroxy groups at positions 2 and 14, an oxo group at position 12 and a (4-deoxy-3-O-methyl-alpha-L-erythro-pentopyranosyl)oxy moiety at position 3 (the 2alpha,3beta stereoisomer). Isolated from from wood of Elaeodendron tangenala, it exhibits antiproliferative activity against A2780 human ovarian cancer cells. It has a role as a metabolite and an antineoplastic agent. It is a cardenolide glycoside and a monosaccharide derivative.
The molecule CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@@H]([C@H]2O)[NH+](C)C)[C@@H](CC=O)C[C@@H](C)C(=O)\C=C\C(\C)=C\[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](O)[C@H]1O CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@@H]([C@H]2O)[NH+](C)C)[C@@H](CC=O)C[C@@H](C)C(=O)\C=C\C(\C)=C\[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](O)[C@H]1O is an organic cation that is the conjugate acid of demethylmacrocin, obtained by protonation of the tertiary amino group; major species at pH 7.3. It is a conjugate acid of demethylmacrocin . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule C12=C(C=CC=C1)NC=3[C@H]([C@@]4(/C(/CN(CC4)CCC32)=C\C)[H])C(=O)OC C12=C(C=CC=C1)NC=3[C@H]([C@@]4(/C(/CN(CC4)CCC32)=C\C)[H])C(=O)OC is an organic heterotetracyclic compound that is 1,4,5,6,7,8-hexahydro-2H-3,6-ethanoazonino[5,4-b]indole in which position 5 is substituted by an ethylidene group and position 7S is substituted by a methoxycarbonyl group. It is also related to or classified as methyl ester  . It is also related to or classified as bridged compound , organic heterotetracyclic compound , monoterpenoid indole alkaloid .
The molecule [H][C@@]12C\C=C/[C@H](O)[C@@H](CO)O[C@@]1([H])C=C[C@@]1([H])O[C@@]3([H])[C@H](O)[C@@]4([H])OCC=CC[C@]4([H])O[C@]3([H])C[C@]1([H])O2 [H][C@@]12C\C=C/[C@H](O)[C@@H](CO)O[C@@]1([H])C=C[C@@]1([H])O[C@@]3([H])[C@H](O)[C@@]4([H])OCC=CC[C@]4([H])O[C@]3([H])C[C@]1([H])O2 is A trans-fused organic heteropentacyclic compound consisting of an oxacyclooctene, an oxepane, two pyrans and a further oxepane ring fused in a linear sequence. It has the role of epitope . It is also related to or classified as polycyclic ether , organic heteropentacyclic compound .
The molecule C([C@H]([C@@H](O)[C@H](CO)O)O)C[C@H]([C@]1(CC[C@@]2([C@]3(CC[C@@]4([C@]5(CCCC([C@@]5(CC[C@]4([C@@]3(CC[C@@]12[H])C)C)[H])(C)C)C)[H])[H])C)[H])C C([C@H]([C@@H](O)[C@H](CO)O)O)C[C@H]([C@]1(CC[C@@]2([C@]3(CC[C@@]4([C@]5(CCCC([C@@]5(CC[C@]4([C@@]3(CC[C@@]12[H])C)C)[H])(C)C)C)[H])[H])C)[H])C is A hopanoid that is bacteriohopane carrying four hydroxy substituents at positions 32, 33, 34 and 35. It has the role of antimicrobial agent . It has the role of lipoxygenase inhibitor . It has the role of bacterial metabolite .  It is also related to or classified as hopanoid  . It is also related to or classified as tetrol .
The molecule [H][C@]12C[C@@]3([H])O[C@@]4([H])CC=CCO[C@]4([H])[C@@H](O)[C@]3([H])O[C@]1([H])C=C[C@H](O)[C@@H](CO)O2 [H][C@]12C[C@@]3([H])O[C@@]4([H])CC=CCO[C@]4([H])[C@@H](O)[C@]3([H])O[C@]1([H])C=C[C@H](O)[C@@H](CO)O2 is A trans-fused organic heterotetracyclic compound consisting of two fused pyran rings flanked by two oxepan rings. It has the role of epitope . It is also related to or classified as polycyclic ether , organic heterotetracyclic compound .
The molecule CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\\C)/C=C/C=C(/C)\\C=C\\C2=C(CCCC2(C)C)C)/C)/C is a carotenoid having the structure of beta-carotene but with a cis double bond at the 9,10-position. It has a role as a biological pigment.
The molecule O=C1OC=2C=3C(C(O)=C4C2[C@@]5(O[C@@H]6O[C@H]([C@@H](O[C@@H]7O[C@@H]([C@@H](O)[C@@H](C7)O[C@H]8O[C@@H]([C@H](O[C@H]9O[C@H]([C@H](O)[C@H](C9)O[C@H]%10O[C@@H]([C@H](O)CC%10)C)C)CC8)C)C)CC6)C)C(=O)C[C@@](O)(C)C[C@@]5(O)C=C4)=C(O)C=CC3C1=C%11C%12=C(C=CC=C%12)N=C%11 O=C1OC=2C=3C(C(O)=C4C2[C@@]5(O[C@@H]6O[C@H]([C@@H](O[C@@H]7O[C@@H]([C@@H](O)[C@@H](C7)O[C@H]8O[C@@H]([C@H](O[C@H]9O[C@H]([C@H](O)[C@H](C9)O[C@H]%10O[C@@H]([C@H](O)CC%10)C)C)CC8)C)C)CC6)C)C(=O)C[C@@](O)(C)C[C@@]5(O)C=C4)=C(O)C=CC3C1=C%11C%12=C(C=CC=C%12)N=C%11 is Langkocycline B2. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C12=C(C=CC=C1)NC=3[C@H]([C@@]4(/C(/C[NH+](CC4)CCC32)=C\C)[H])C(=O)OC C12=C(C=CC=C1)NC=3[C@H]([C@@]4(/C(/C[NH+](CC4)CCC32)=C\C)[H])C(=O)OC is an ammonium ion resulting from the protonation of the tertiary amino group of (16S)-deshydroxymethyl-stemmadenine. It is a conjugate acid of (16S)-deshydroxymethyl-stemmadenine . It is also related to or classified as ammonium ion derivative .
The molecule COc1cc(cc(OC)c1O)C(O)=O COc1cc(cc(OC)c1O)C(O)=O is A dimethoxybenzene that is 3,5-dimethyl ether derivative of gallic acid. It has the role of plant metabolite . Its functional parent is gallic acid . It is a conjugate acid of syringate .  It is also related to or classified as phenols  . It is also related to or classified as benzoic acids , dimethoxybenzene .
The molecule CC1=CC[C@@H]2[C@H](C1)C2(C)C is a car-3-ene (3,7,7-trimethylbicyclo[4.1.0]hept-3-ene) that has S configuration at position 1 and R configuration at position 6. It is an enantiomer of a (-)-car-3-ene.
The molecule NP(O)(O)=O NP(O)(O)=O is phosphoramidic acid. It is a conjugate acid of phosphoramidate . It is also related to or classified as phosphoric acid derivative .
The molecule C12=C(C=CC=C1)NC=3[C@@H]([C@@]4(/C(/CN(CC4)CCC32)=C\C)[H])C(=O)OC C12=C(C=CC=C1)NC=3[C@@H]([C@@]4(/C(/CN(CC4)CCC32)=C\C)[H])C(=O)OC is an organic heterotetracyclic compound that is 1,4,5,6,7,8-hexahydro-2H-3,6-ethanoazonino[5,4-b]indole in which position 5 is substituted by an ethylidene group and position 7R is substituted by a methoxycarbonyl group. It is also related to or classified as methyl ester  . It is also related to or classified as bridged compound , organic heterotetracyclic compound , monoterpenoid indole alkaloid .
The molecule COc1ccc2cc(ccc2c1)[C@H](C)C([O-])=O COc1ccc2cc(ccc2c1)[C@H](C)C([O-])=O is the anion formed from naproxen by loss of a proton from the carboxy group. It is also related to or classified as monocarboxylic acid anion  .
The molecule CC(=CCC[C@@]1(CC[C@@]2([C@H]3CC[C@@H]4[C@@]5([C@@]3(CC[C@]2(C1)C)C)CC[C@@H](C4(C)C)O5)C)C)C is a pentacyclic triterpenoid that is perhydrochrysene which is substituted by methyl groups at positions 1, 1, 4bbeta, 6aalpha, 8beta and 10abeta positions, by a 4-methylpent-3-enyl group at the 8alpha position, and with a beta-oxygen bridge between the 2 and the 4a positions.
The molecule C[C@@H](N[C@@H](CCCNC(N)=[NH2+])C([O-])=O)C([O-])=O C[C@@H](N[C@@H](CCCNC(N)=[NH2+])C([O-])=O)C([O-])=O is an D-alpha-amino acid anion  arising from deprotonation of the carboxy groups and protonation of the guanidino group of D-octopine. It is also related to or classified as D-alpha-amino acid anion  .
The molecule C12=C(C=CC=C1)NC=3[C@@H]([C@@]4(/C(/C[NH+](CC4)CCC32)=C\C)[H])C(=O)OC C12=C(C=CC=C1)NC=3[C@@H]([C@@]4(/C(/C[NH+](CC4)CCC32)=C\C)[H])C(=O)OC is an ammonium ion resulting from the protonation of the tertiary amino group of (16R)-deshydroxymethyl-stemmadenine. It is a conjugate acid of (16R)-deshydroxymethyl-stemmadenine . It is also related to or classified as ammonium ion derivative .
The molecule O1[C@@H]([C@@H](O)C2=CC3=CC(OC)=CC(=C3C(=C2C1)O)OC)C O1[C@@H]([C@@H](O)C2=CC3=CC(OC)=CC(=C3C(=C2C1)O)OC)C is (3R,4S)-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromene-4,10-diol. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C([C@@H](C(=O)O)N)SC(CC(=O)O)C(=O)O is an L-cysteine thioether that is L-cysteine in which the hydrogen of the thiol group has been replaced by a 1,2-dicarboxyethyl group. It is a chemical modification which occurs in tissue proteins and formed by a Michael addition of cysteine to fumaric acid. It has a role as a Maillard reaction product and a human metabolite. It is a L-cysteine thioether and a tricarboxylic acid.
The molecule CC[C@@H](C)[C@@H](N)C([O-])=O CC[C@@H](C)[C@@H](N)C([O-])=O is the D-enantiomer of isoleucinate. It has the role of Saccharomyces cerevisiae metabolite . It is also related to or classified as isoleucinate  .
The molecule O=C1N2[C@H](C(=O)NC1=CC=3C4=C(C=CC=C4)NC3C(C=C)(C)C)C[C@H](C2)O O=C1N2[C@H](C(=O)NC1=CC=3C4=C(C=CC=C4)NC3C(C=C)(C)C)C[C@H](C2)O is Aspamide C. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
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[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-])CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-])O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-] is a (1->4)-beta-D-glucan compound formed by nitrating cellulose through exposure to nitric acid or another powerful nitrating agent. It has a role as a tissue adhesive and an explosive. It derives from a (1->4)-beta-D-glucan.
The molecule C[C@]12CC[C@H](C([C@@H]1CC=C3C2=CC[C@]4([C@]3(C[C@H]([C@@H]4[C@@H](CCC(=C)C(C)(C)O)C(=O)O)O)C)C)(C)C)O is a tetracyclic triterpenoid that is lanosta-7,9(11)-dien-21-oic acid substituted by hydroxy groups at positions 3, 16 and 25 and a methylidene group at position 24. It has been isolated from Poria cocos. It has a role as a fungal metabolite. It is a monocarboxylic acid, a secondary alcohol, a tertiary alcohol and a tetracyclic triterpenoid. It derives from a hydride of a lanostane.
The molecule CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)C)I is a member of the class of benzoic acids that is benzoic acid having iodo substituents at the 2-, 4- and 6-positions and acetamido substituents at the 3- and 5-positions. It is used, mainly as its N-methylglucamine and sodium salts, as an X-ray contrast medium in gastrointestinal studies, angiography, and urography. It has a role as a radioopaque medium, an environmental contaminant and a xenobiotic. It is an organoiodine compound, a member of benzoic acids and a member of acetamides. It is a conjugate acid of an amidotrizoic acid anion.
The molecule COc1cc(\C=C\C(=O)OCCCc2ccc(O[C@@H](COC(=O)\C=C\c3ccc(O)cc3)[C@@H](O)c3ccc(O)c(OC)c3)c(OC)c2)ccc1O COc1cc(\C=C\C(=O)OCCCc2ccc(O[C@@H](COC(=O)\C=C\c3ccc(O)cc3)[C@@H](O)c3ccc(O)c(OC)c3)c(OC)c2)ccc1O is (-)-(7'S,8'S)-threo-carolignan X. It has the role of metabolite . It is also related to or classified as phenylpropanoid .
The molecule C=1C(=CC=C(C1)O)CC(C(=O)NC(C(O)=O)CC=2C=CC(=CC2)O)N C=1C(=CC=C(C1)O)CC(C(=O)NC(C(O)=O)CC=2C=CC(=CC2)O)N is A dipeptide comprising tyrosine with a tyrosyl residue attached to the alpha-nitrogen. Its functional parent is tyrosine . It is also related to or classified as dipeptide  .
The molecule [NH3+][C@H]1CC(=O)[C@H](O)[C@@H](O)[C@@H]1O [NH3+][C@H]1CC(=O)[C@H](O)[C@@H](O)[C@@H]1O is an organic cation obtained by protonation of the amino group of 3-amino-2,3-dideoxy-scyllo-inosose; major species at pH 7.3. It is a conjugate acid of 3-amino-2,3-dideoxy-scyllo-inosose . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule C1=C(NC=N1)C[C@@H](COP(=O)(O)O)N is the O-phospho derivative of L-histidinol. It has a role as an Escherichia coli metabolite. It derives from a L-histidinol. It is a conjugate acid of a L-histidinol phosphate(1-).
The molecule C[C@@]12CC[C@@H]([C@@]([C@H]1[C@@H]([C@]34[C@H]2CC[C@](C3)(C(=C)C4)O)C(=O)O)(C)C(=O)O)O is a C20-gibberellin, initially identified in Lupinus luteus, that is gibberellin A12 in which extra hydroxy substituents are present at the 2beta- and 7alpha-positions. It has a role as a plant metabolite. It is a C20-gibberellin and a dicarboxylic acid. It derives from a gibberellin A12.
The molecule O(C=1C(OC)=CC(O)=CC1O)C O(C=1C(OC)=CC(O)=CC1O)C is 4,5-dimethoxybenzene-1,3-diol. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)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[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O is a hexasaccharide derivative consisting of 1D-myo-inositol carrying at O-2 an alpha-D-mannosyl residue and at O-6 an alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-(1->6)-alpha-D-mannosyl-(1->6)-alpha-D-mannosyl pentasaccharide chain. It derives from a myo-inositol.
The molecule COc1cc(\C=C\C(=O)OCCCc2cc(OC)c3O[C@H]([C@H](COC(=O)\C=C\c4ccc(O)cc4)c3c2)c2ccc(O)c(OC)c2)ccc1O COc1cc(\C=C\C(=O)OCCCc2cc(OC)c3O[C@H]([C@H](COC(=O)\C=C\c4ccc(O)cc4)c3c2)c2ccc(O)c(OC)c2)ccc1O is (+)-boehmenan X. It has the role of metabolite . It is also related to or classified as benzofurans .
The molecule CCCC[C@H](NC(=O)[C@H]1N(Cc2ccccc12)C(=O)[C@@H](NC(=O)[C@H](CC1CCCCC1)NC(C)=O)C1CCN(CC1)C(N)=N)C(=O)N1CC[C@@H]([C@H]1C(=O)N[C@@H](CO)c1nc(co1)C(=O)N(C)C)c1ccccc1 CCCC[C@H](NC(=O)[C@H]1N(Cc2ccccc12)C(=O)[C@@H](NC(=O)[C@H](CC1CCCCC1)NC(C)=O)C1CCN(CC1)C(N)=N)C(=O)N1CC[C@@H]([C@H]1C(=O)N[C@@H](CO)c1nc(co1)C(=O)N(C)C)c1ccccc1 is A synthetic six-membered oligopeptide composed of the non-natural Ac-Cha, Gpg, Disc, Nle, betaPhPro and [S(oxaz)L]-NMe2 residues coupled in sequence. It is also related to or classified as oligopeptide  .
The molecule Oc1cc(c(O)nc1O)-c1cc(O)c(O)nc1O Oc1cc(c(O)nc1O)-c1cc(O)c(O)nc1O is A bipyridine that is 3,3'-bipyridine bearing six hydroxy groups at positions 2, 2', 5, 5', 6 and 6'. Its functional parent is 2,3,6-trihydroxypyridine . It is also related to or classified as bipyridines .
The molecule OC[C@H]1O[C@@H](Oc2ccc(cc2)C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@@H](Oc2ccc(cc2)C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O is A beta-D-glucoside of 4-hydroxybenzoic acid. Its functional parent is benzoic acid . It is a conjugate acid of 4-(beta-D-glucosyloxy)benzoate .  It is also related to or classified as beta-D-glucoside  . It is also related to or classified as benzoic acids .
The molecule C[Si](C)(C)C1=C(C(=C2C(=C1)C3=C(C(=C4N3C2=NC(=C4C#N)N)C#N)[Si](C)(C)C)N)C#N is an organic heterotetracyclic compound consisting of a benzo[a]pyrimido[2,1,6-cd]pyrrolizine ring system having amino substituents at the 2- and 9-positions, trimethylsilyl substituents at the 5- and 7-positions and cyano substituents at the 3-, 4- and 8-postions.
The molecule C(C(C(F)(F)S(=O)(=O)O)(F)F)(C(F)(F)F)(F)F is a perfluoroalkanesulfonic acid that is butane-1-sulfonic acid in which all of the hydrogens of the butyl group have been replaced by fluorines. It has a role as a surfactant.
The molecule Cc1c(O)c(C)c2O[C@@H](CC(=O)c2c1O)c1ccccc1 Cc1c(O)c(C)c2O[C@@H](CC(=O)c2c1O)c1ccccc1 is A dihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5 and 7 and methyl groups at positions 6 and 8. Isolated from the buds of Cleistocalyx operculatus, it has been shown to exhibit inhibitory effects on the viral neuraminidases from two influenza viral strains, H1N1 and H9N2. It has the role of EC 3.2.1.18 (exo-alpha-sialidase) inhibitor . It has the role of plant metabolite . Its functional parent is (2S)-flavanone . It is also related to or classified as dihydroxyflavanone .
The molecule CCCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](NC(=O)[C@H](CC1CCCCC1)NC(C)=O)C1CCN(CC1)C(N)=N)C(=O)N1CC[C@@H]([C@H]1C(=O)N[C@@H](CO)c1nc(co1)C(=O)N(C)C)c1ccccc1 CCCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](NC(=O)[C@H](CC1CCCCC1)NC(C)=O)C1CCN(CC1)C(N)=N)C(=O)N1CC[C@@H]([C@H]1C(=O)N[C@@H](CO)c1nc(co1)C(=O)N(C)C)c1ccccc1 is A synthetic six-membered oligopeptide composed of the non-natural Ac-Cha, Gpg, Tic, Nle, betaPhPro and [S(oxaz)L]-NMe2 residues coupled in sequence. It is also related to or classified as oligopeptide  .
The molecule OC1=C\C(C([O-])=NC1=O)=C1\C=C(O)C(=O)N=C1[O-] OC1=C\C(C([O-])=NC1=O)=C1\C=C(O)C(=O)N=C1[O-] is an organic anion obtained by selective deprotonation of the hydroxy groups at positions 2 and 2' of nicotine blue; major species at pH 7.3 (according to Marvin v 6.2.0.). It is also related to or classified as organic anion .
The molecule C[C@H](CCCC(C)C)COS(=O)(=O)O is the (R)-enantiomer of 2,6-dimethylheptyl hydrogen sulfate. It is a conjugate acid of a (2R)-2,6-dimethylheptyl sulfate. It is an enantiomer of a (2S)-2,6-dimethylheptyl hydrogen sulfate.
The molecule OC[C@@H](O)[C@H](O)[C@@H](O)C=O OC[C@@H](O)[C@H](O)[C@@H](O)C=O is aldehydo-D-xylose. It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . It is also related to or classified as D-xylose .
The molecule C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)O)COS(=O)(=O)O)COS(=O)(=O)O)O)O)O)O)O is a linear trisaccharide derivative that consists of alpha-L-fucose, 6-sulfated beta-D-galactose and 6-sulfated D-glucose units connected in sequence by (1->2) and (1->4) links, respectively. It has a role as an epitope. It is an oligosaccharide sulfate and a trisaccharide derivative.
The molecule O=C1CN(CCCN2CC(=O)NC(=O)C2)CC(=O)N1 O=C1CN(CCCN2CC(=O)NC(=O)C2)CC(=O)N1 is 4,4'-propane-1,3-diyldipiperazine-2,6-dione. It has the role of EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor . It is also related to or classified as N-alkylpiperazine .
The molecule C[C@@H]1CC[C@@H]2[C@]13CC(C[C@H]3C=C2C(=O)O)(C)C is a tricyclic sesquiterpenoid that is pentalenene in which the 13-methyl group is oxidsed to the carboxylic acid. It has a role as a metabolite. It is a sesquiterpenoid, a carbotricyclic compound and an alpha,beta-unsaturated monocarboxylic acid. It derives from a pentalenene. It is a conjugate acid of a 1-deoxypentalenate.
The molecule Cc1c(O)cc(O)c2C(=O)C[C@H](Oc12)c1ccccc1 Cc1c(O)cc(O)c2C(=O)C[C@H](Oc12)c1ccccc1 is A  dihydroxyflavanone that is pinocembrin substituted by a methyl group at position 8. It has been isolated from the buds of Cleistocalyx operculatus. It has the role of plant metabolite . Its functional parent is pinocembrin . It is also related to or classified as (2S)-flavan-4-one  . It is also related to or classified as dihydroxyflavanone .
The molecule CCCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC1CCCCC1)NC(C)=O)C(=O)N1CC[C@@H]([C@H]1C(=O)N[C@@H](CO)c1nc(co1)C(=O)N(C)C)c1ccccc1 CCCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC1CCCCC1)NC(C)=O)C(=O)N1CC[C@@H]([C@H]1C(=O)N[C@@H](CO)c1nc(co1)C(=O)N(C)C)c1ccccc1 is A synthetic six-membered oligopeptide comprising Ac-Cha, Arg, Tic, Nle, betaPhPro and [S(oxaz)L]-NMe2 residues coupled in sequence. It is also related to or classified as oligopeptide  .