anonymous041/ChEBI-Augmented huggingface dataset:
The molecule O(P(OP(O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1NC(=O)C)O)O[C@@H]2O[C@@H]([C@H]([C@@H]([C@@H]2NC(=O)C)O)O)CO)CO)(O)=O)(O)=O)C/C=C(/C)\CC/C=C(/C)\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)/C)/C)/C)/C)/C)/C O(P(OP(O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1NC(=O)C)O)O[C@@H]2O[C@@H]([C@H]([C@@H]([C@@H]2NC(=O)C)O)O)CO)CO)(O)=O)(O)=O)C/C=C(/C)\CC/C=C(/C)\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)/C)/C)/C)/C)/C)/C is an N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-D-glucosaminyl undecaprenyl diphosphate in which the anomeric centre connected to the diphosphate group has alpha-configuration. It is a conjugate acid of N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl undecaprenyl diphosphate(2-) . It is also related to or classified as N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-D-glucosaminyl undecaprenyl diphosphate  .
The molecule O.O.O.O.[O-][Mo](=O)(=O)[O-].[Na+].[Na+] is a hydrate that is the tetrahydrate form of sodium molybdate. It has a role as a poison. It is a hydrate, an inorganic sodium salt and a molybdate. It contains a sodium molybdate (anhydrous).
The molecule [H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(O)=O)[C@@]1(C)[C@H](O)[C@@H](O)[C@@H](O)[C@@]2(C)CO [H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(O)=O)[C@@]1(C)[C@H](O)[C@@H](O)[C@@H](O)[C@@]2(C)CO is A pentacyclic triterpenoid that is urs-12-ene substituted by hydroxy groups at positions 1, 2, 3 and 23 and a carboxy group at position 28 (the 1beta,2alpha,3alpha stereoisomer). Isolated from  Weigela subsessilis, it exhibits anticomplement activity against complement induced hemolysis. It has the role of metabolite . It is also related to or classified as monocarboxylic acid , pentacyclic triterpenoid , tetrol .
The molecule CC(C1=CNC2=CC=CC=C21)C(=O)C(=O)O is a 2-oxo monocarboxylic acid that is 2-oxobutyric acid which is substituted at position 3 by an indol-3-yl group. It is an indol-3-yl carboxylic acid and a 2-oxo monocarboxylic acid. It derives from a butyric acid.
The molecule COc1cc2CC(C)C(C)Cc3cc(O)c(OC)c(OC)c3-c2c(O)c1OC COc1cc2CC(C)C(C)Cc3cc(O)c(OC)c(OC)c3-c2c(O)c1OC is Rubrisandrin A(2:1 Inseparable mixture of regeoisomers). It has the role of metabolite . It is also related to or classified as tannin .
The molecule C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OCCNC(=O)OCC2=CC=CC=C2)OC)OC(=O)C3=CC=CC=C3)N=[N+]=[N-] is a multi-functionalised hexoside consisiting of 2-(N-benzyloxycarbonylamino)ethyl-4,6-dideoxy-alpha-D-glucoside having methyl, benzoyl and azido groups at positions 2, 3 and 4 respectively. It is a hexoside, an azide and a monosaccharide derivative. It derives from a D-galactopyranose.
The molecule CC(C)(O)C(O)COc1c2ccoc2nc2cc3OCOc3cc12 CC(C)(O)C(O)COc1c2ccoc2nc2cc3OCOc3cc12 is Maculosine. It is also related to or classified as organic heterotricyclic compound , organonitrogen heterocyclic compound , oxacycle .
The molecule CC(C)C(=O)NC1=CC=C(C=C1)N(CC2=CSC=C2)C(=O)CN3C4=CC=CC=C4N=N3 is a member of the class of benzotriazoles that is 1H-benzotriazole which is substituted by a 2-{[4-(2-methylpropanamido)phenyl][(thiophen-3-yl)methyl]amino}-2-oxoethyl group at position 1. It is a 3C-like protease inhibitor of SARS-CoV and bat coronavirus HKU4. It has a role as an EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor and an anticoronaviral agent. It is a member of benzotriazoles, a member of thiophenes, a secondary carboxamide, a tertiary carboxamide and a dicarboxylic acid diamide.
The molecule C1(=CC=C2C(=C1C(=O)O)N=CC(=C2)Cl)Cl C1(=CC=C2C(=C1C(=O)O)N=CC(=C2)Cl)Cl is A quinolinemonocarboxylic acid that is quinoline-8-carboxylic acid in which the hydrogens at positions 3 and 7 have been replaced by chlorines. It is used (particularly as its dimethylamine salt, known as quinclorac-dimethylammonium) as a (rather persistent) herbicide for the post-emergence control of weeds in rice, grass and turf. It is not approved for use within the European Union. It has the role of herbicide . It has the role of synthetic auxin . It has the role of agrochemical . It is a conjugate acid of quinclorac(1-) .   It is also related to or classified as organochlorine compound  . It is also related to or classified as monocarboxylic acid , quinolinemonocarboxylic acid .
The molecule CC(C)=CCNc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O CC(C)=CCNc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O is dianion of N(6)-(dimethylallyl)adenosine 5'-phosphate arising from deprotonation of both OH groups of the phosphate. It is also related to or classified as organophosphate oxoanion .
The molecule [H][C@@]12Cc3c4C=C[C@@]5([H])C(C)(C)O[C@]6([H])CC(=O)O[C@]56Cc4ccc3[C@]1([H])[C@H](C)[C@]([H])(O2)[C@@]1([H])OC(=O)C(C)=C1 [H][C@@]12Cc3c4C=C[C@@]5([H])C(C)(C)O[C@]6([H])CC(=O)O[C@]56Cc4ccc3[C@]1([H])[C@H](C)[C@]([H])(O2)[C@@]1([H])OC(=O)C(C)=C1 is A terpene lactone that is a bisnortriterpenoid possessing an aromatic ring. It is isolated from the leaves and stems of  Schisandra rubriflora and has been shown to exhibit anti-HIV-1 activity. It has the role of metabolite . It has the role of anti-HIV-1 agent .  It is also related to or classified as gamma-lactone  . It is also related to or classified as cyclic ether , terpene lactone , hexacyclic triterpenoid .
The molecule C([C@@H]([C@@H](C(=O)[O-])O)O)C(=O)C(=O)[O-] is dicarboxylate anion of 2-dehydro-3-deoxy-D-glucaric acid; major species at pH 7.3. It is a conjugate base of a 2-dehydro-3-deoxy-D-glucaric acid.
The molecule CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@H](OC1OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@H](OC1OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O is A UDP-amino sugar having N-acetyl-2-amino-2-deoxy-D-glucuronic acid as the sugar component. Its functional parent is D-glucuronic acid . It is a conjugate acid of UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate . It is a conjugate acid of UDP-2-acetamido-2-deoxy-D-glucuronate(3-) . It is also related to or classified as UDP-amino sugar .
The molecule COc1c(O)cc2oc3cc(O)cc(O)c3c(=O)c2c1C\C=C(/C)CCC=C(C)C COc1c(O)cc2oc3cc(O)cc(O)c3c(=O)c2c1C\C=C(/C)CCC=C(C)C is A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 3, 6 and 8, a geranyl group at position 1 and a methoxy group at position 2. Isolated from  Mesua and Garcinia dioica, it exhibits antibacterial and cytotoxic activities. It has the role of metabolite . It has the role of antibacterial agent . It has the role of antineoplastic agent . It is also related to or classified as polyphenol , aromatic ether , xanthones .
The molecule CCCCCCCC/C=C\\CCCCCCCC(=O)OCC(NC1=CC=CC=C1)OC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC is a carboxylic ester that is a modified acyl glycerol with oleyl and linoleyl entities at C-1 and C-2, respectively, and an aniline moiety at C-3. It derives from a PAP, an oleic acid and a linoleic acid.
The molecule C[Se]C[C@H]([NH3+])C(O)=O C[Se]C[C@H]([NH3+])C(O)=O is an L-alpha-amino acid cation having methylselanylmethyl as the side-chain. It is a conjugate acid of Se-methyl-L-selenocysteine . It is also related to or classified as Se-methylselenocysteinium  .
The molecule [H][C@]1(O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@]1([H])O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](C)O[C@@]1([H])O[C@H]1CC[C@@]2(C)[C@@]([H])(CC[C@]3(C)[C@]2([H])C=C[C@]24OC[C@@]5(CC[C@@H](C)[C@H](C)[C@@]25[H])[C@H](O)C[C@@]34C)C1(C)C [H][C@]1(O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@]1([H])O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](C)O[C@@]1([H])O[C@H]1CC[C@@]2(C)[C@@]([H])(CC[C@]3(C)[C@]2([H])C=C[C@]24OC[C@@]5(CC[C@@H](C)[C@H](C)[C@@]25[H])[C@H](O)C[C@@]34C)C1(C)C is A triterpenoid saponin that consists of urs-11-ene substituted by an epoxy group across positions 13 and 28, a hydroxy group at position 16 and a alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranosyl-(1->2)-beta-D-fucopyranosyloxy residue at position 3 (the 3beta,16alpha stereoisomer). Isolated from the fruits of Bupleurum rotundifolium, it exhibits antiproliferative activity against cancer cells. It has the role of antineoplastic agent . It has the role of plant metabolite . It is also related to or classified as bridged compound , cyclic ether , triterpenoid saponin , trisaccharide derivative , hexacyclic triterpenoid .
The molecule CC1=C(NN=C1)C.OP(=O)(O)O is a phosphate salt obtained by reacting 3,4-dimethyl-1H-pyrazole with one equivalent of phosphoric acid. It is a nitrification inhibitor and when used on crops, it prevents nitrogen loss from soil, increases nitrogen use efficiency, and boosts crop yields. It has a role as a nitrification inhibitor. It contains a 3,4-dimethyl-1H-pyrazole.
The molecule [H][C@]1(OC[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@]1([H])O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](C)O[C@@]1([H])O[C@H]1CC[C@@]2(C)[C@@]([H])(CC[C@]3(C)[C@]2([H])C=C[C@]24OC[C@@]5(CC[C@@H](C)[C@H](C)[C@@]25[H])[C@H](O)C[C@@]34C)C1(C)C [H][C@]1(OC[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@]1([H])O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](C)O[C@@]1([H])O[C@H]1CC[C@@]2(C)[C@@]([H])(CC[C@]3(C)[C@]2([H])C=C[C@]24OC[C@@]5(CC[C@@H](C)[C@H](C)[C@@]25[H])[C@H](O)C[C@@]34C)C1(C)C is A triterpenoid saponin that consists of urs-11-ene substituted by an epoxy group across positions 13 and 28, a hydroxy group at position 16 and a beta-yl beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranosyl-(1->2)-beta-D-fucopyranosyloxy residue at position 3 (the 3beta,16alpha stereoisomer). Isolated from the fruits of Bupleurum rotundifolium, it exhibits antiproliferative activity against cancer cells. It has the role of antineoplastic agent . It has the role of plant metabolite . It is also related to or classified as bridged compound , cyclic ether , triterpenoid saponin , trisaccharide derivative , hexacyclic triterpenoid .
The molecule COC(=O)C1=C(C=CC(=C1)Cl)Cl is a methyl ester resulting from the formal condensation of the carboxy group of 2,5-dichlorobenzoic acid with methanol. It as used as a plant growth regulator and fungicide for grafting of grapevines. It has a role as a plant growth regulator and an antifungal agrochemical. It is a methyl ester and a dichlorobenzene. It derives from a 2,5-dichlorobenzoic acid.
The molecule NCCCCC([O-])=O NCCCCC([O-])=O is an amino fatty acid anion that is the  conjugate base of 5-aminopentanoic acid. It is also related to or classified as amino fatty acid anion .
The molecule O=CC(O)C(O)C(OC1OC(C(OC2OC(C(OC3OC(C(NC4C(O)C(O)C(O)C(C4O)CO)C(C3O)O)C)C(C2O)O)CO)C(C1O)O)CO)C(O)CO O=CC(O)C(O)C(OC1OC(C(OC2OC(C(OC3OC(C(NC4C(O)C(O)C(O)C(C4O)CO)C(C3O)O)C)C(C2O)O)CO)C(C1O)O)CO)C(O)CO is Oligostatin C. It is also related to or classified as glycoside  . It is also related to or classified as amino cyclitol .
The molecule C([C@H]([C@H]([C@@H](C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O is a ketohexose bisphosphate that is D-fructose substituted by phosphate groups at positions 1 and 6. It has a role as a Saccharomyces cerevisiae metabolite. It derives from a D-fructose.
The molecule [H][C@]1(OC[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@]1([H])O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](C)O[C@@]1([H])O[C@H]1CC[C@@]2(C)[C@@]([H])(CC[C@]3(C)[C@]2([H])C=C[C@]24OC[C@@]5(CC[C@@H](C)[C@H](C)[C@@]25[H])[C@H](O)C[C@@]34C)[C@]1(C)CO [H][C@]1(OC[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@]1([H])O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](C)O[C@@]1([H])O[C@H]1CC[C@@]2(C)[C@@]([H])(CC[C@]3(C)[C@]2([H])C=C[C@]24OC[C@@]5(CC[C@@H](C)[C@H](C)[C@@]25[H])[C@H](O)C[C@@]34C)[C@]1(C)CO is A triterpenoid saponin that consists of urs-11-ene substituted by an epoxy group across positions 13 and 28, a hydroxy groups at position 16 and 23 and a beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranosyl-(1->2)-beta-D-fucopyranosyloxy group at position 3 (the 3beta,16alpha stereoisomer). Isolated from the fruits of Bupleurum rotundifolium, it exhibits antiproliferative activity against cancer cells. It has the role of antineoplastic agent . It has the role of plant metabolite . It is also related to or classified as bridged compound , cyclic ether , triterpenoid saponin , trisaccharide derivative , hexacyclic triterpenoid .
The molecule CCCCCCCCCCCCC(CO)O is a glycol that is tetradecane bearing two hydroxy substituents located at positions 1 and 2. It derives from a hydride of a tetradecane.
The molecule S(=O)(=O)(O[C@H]1C(O)(O)[C@]23NC(N)=N[C@H]2[C@H](CO)N=C(N3C1)N)O S(=O)(=O)(O[C@H]1C(O)(O)[C@]23NC(N)=N[C@H]2[C@H](CO)N=C(N3C1)N)O is Decarbamoylgonyautoxin-2. It has the role of marine metabolite . It is also related to or classified as organic heterotricyclic compound .
The molecule [H][C@]1(OC[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@]1([H])O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@]1([H])O[C@H]1CC[C@@]2(C)[C@@]([H])(CC[C@]3(C)[C@]2([H])C=C[C@]24OC[C@@]5(CC[C@@H](C)[C@H](C)[C@@]25[H])[C@H](O)C[C@@]34C)C1(C)C [H][C@]1(OC[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@]1([H])O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@]1([H])O[C@H]1CC[C@@]2(C)[C@@]([H])(CC[C@]3(C)[C@]2([H])C=C[C@]24OC[C@@]5(CC[C@@H](C)[C@H](C)[C@@]25[H])[C@H](O)C[C@@]34C)C1(C)C is A  triterpenoid saponin that consists of urs-11-ene substituted by an epoxy group across positions 13 and 28, a hydroxy group at position 16 and a beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranosyloxy group at position 3 (the 3beta,16alpha stereoisomer). Isolated from the fruits of Bupleurum rotundifolium, it exhibits antiproliferative activity against cancer cells. It has the role of antineoplastic agent . It has the role of plant metabolite . It is also related to or classified as bridged compound , cyclic ether , triterpenoid saponin , trisaccharide derivative , hexacyclic triterpenoid .
The molecule C1=CC(=CC=C1C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O.[Cl-] is a member of the class of anthocyanin chlorides that has pelargonidin 3-O-beta-D-glucoside as the cationic counterpart. It contains a pelargonidin 3-O-beta-D-glucoside.
The molecule O([C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)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)O)O)NC(=O)C)C[C@H]4O[C@H]([C@H]([C@H]([C@@H]4O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)O)NC(=O)C)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O)O)NC(=O)C)O)O[C@H]%10[C@@H]([C@H]([C@@H](O[C@@H]%10CO)O[C@H]%11[C@@H]([C@H](C(O[C@@H]%11CO)O)NC(=O)C)O)NC(=O)C)O O([C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)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)O)O)NC(=O)C)C[C@H]4O[C@H]([C@H]([C@H]([C@@H]4O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)O)NC(=O)C)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O)O)NC(=O)C)O)O[C@H]%10[C@@H]([C@H]([C@@H](O[C@@H]%10CO)O[C@H]%11[C@@H]([C@H](C(O[C@@H]%11CO)O)NC(=O)C)O)NC(=O)C)O is an amino oligosaccharide that is a branched tridecasaccharide in which two beta-D-Gal-(1->4)-beta-D-GlcNAc disaccharide units are linked (1->2) and (1->4) to the terminal mannose residue of an alpha-D-Man-(1->3)-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc tetrasaccharide chain, to the beta-D-mannose residue of which is also linked (1->6) a beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-alpha-D-Man trisaccharide unit. It has the role of epitope . It is also related to or classified as acetamides , glucosamine oligosaccharide , polysaccharide derivative , amino oligosaccharide .
The molecule [H][C@]12C[C@@]34SS[C@]5(C[C@]6([H])C(=O)C[C@@H](S)[C@H](O)[C@]6([H])N5C3=O)C(=O)N4[C@@]1([H])[C@@H](O)[C@H](S)CC2=O [H][C@]12C[C@@]34SS[C@]5(C[C@]6([H])C(=O)C[C@@H](S)[C@H](O)[C@]6([H])N5C3=O)C(=O)N4[C@@]1([H])[C@@H](O)[C@H](S)CC2=O is an organic disulfide isolated from the whole broth of the marine-derived fungus Exserohilum rostratum and has been shown to exhibit antineoplastic activity. It has the role of metabolite . It has the role of antineoplastic agent . It is also related to or classified as diol  .  It is also related to or classified as lactam  . It is also related to or classified as organic disulfide  . It is also related to or classified as secondary alcohol  . It is also related to or classified as dithiol , bridged compound , cyclic ketone , organic heterohexacyclic compound .
The molecule CC(=CCCC(C)([C@@H]1CC2=C(C=CC(=C2O1)O)C3=C(C(=O)C4=C(C=C(C=C4O3)O)O)OC)O)C is a trihydroxyflavone that is flavone substituted by hydroxy groups at positions 5, 7 and 4', a methoxy group at position 3 and a 6-hydroxy-2-methylhept-2-en-6-yl substituted tetrahydrofuran ring across positions 5' and 6'. It has been isolated from Morus nigra. It has a role as a plant metabolite. It is a trihydroxyflavone, a monomethoxyflavone and an extended flavonoid.
The molecule CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H](O)[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H](O)[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O is A branched N-glycan derivative that is an undecasaccharide derivative consisting of nine D-mannosyl residues and two N-acetylglucosamine residues (one at the reducing end). It is also related to or classified as high-mannose oligosaccharide , N-glycan derivative , polysaccharide derivative .
The molecule [H][C@]12C[C@@]34SS[C@]5(C[C@]6([H])C(=O)C[C@H](OC)[C@H](O)[C@]6([H])N5C3=O)C(=O)N4[C@@]1([H])[C@@H](O)[C@H](CC2=O)OC [H][C@]12C[C@@]34SS[C@]5(C[C@]6([H])C(=O)C[C@H](OC)[C@H](O)[C@]6([H])N5C3=O)C(=O)N4[C@@]1([H])[C@@H](O)[C@H](CC2=O)OC is an organic disulfide isolated from the whole broth of the marine-derived fungus Exserohilum rostratum and has been shown to exhibit antineoplastic activity. It has the role of metabolite . It has the role of antineoplastic agent . It is also related to or classified as diol  . It is also related to or classified as lactam  . It is also related to or classified as ether  . It is also related to or classified as organic disulfide  . It is also related to or classified as secondary alcohol  . It is also related to or classified as bridged compound , cyclic ketone , organic heterohexacyclic compound .
The molecule CCCCC[C@@H](/C=C/C=C\\CCCCCCCC(=O)OC)OO is a fatty acid methyl ester resulting from the formal condensation of the carboxy group of 13(S)-HPODE with methanol. It derives from a methyl linoleate and a 13(S)-HPODE.
The molecule OC(=O)CCC=C OC(=O)CCC=C is A pentenoic acid having the double bond at position 4. It is a conjugate acid of pent-4-enoate . It is also related to or classified as pentenoic acid .
The molecule [C@H](CCCC([O-])=O)(/C=C/C=C\C/C=C\C\C=C/C=C/[C@@H](CC)O)OO [C@H](CCCC([O-])=O)(/C=C/C=C\C/C=C\C\C=C/C=C/[C@@H](CC)O)OO is an icosanoid anion arising from deprotonation of the carboxylic acid function of 5(S)-hydroperoxy-18(R)-hydroxy-(6E,8Z,11Z,14Z,16E)-icosapentaenoic acid; major species at pH 7.3. It is also related to or classified as (5S)-hydroperoxy-18-hydroxy-EPE(1-)  .
The molecule C[Se]C[C@H](N)C([O-])=O C[Se]C[C@H](N)C([O-])=O is an L-alpha-amino acid anion having methylselanylmethyl as the side-chain. It is also related to or classified as Se-methylselenocysteinate  .
The molecule [H][C@]12C[C@@]34SS[C@]5(C[C@]6([H])C(=O)CC[C@H](O)[C@]6([H])N5C3=O)C(=O)N4[C@@]1([H])[C@@H](O)CCC2=O [H][C@]12C[C@@]34SS[C@]5(C[C@]6([H])C(=O)CC[C@H](O)[C@]6([H])N5C3=O)C(=O)N4[C@@]1([H])[C@@H](O)CCC2=O is an organic disulfide isolated from the whole broth of the marine-derived fungus Exserohilum rostratum and has been shown to exhibit antineoplastic activity. It has the role of metabolite . It has the role of antineoplastic agent . It is also related to or classified as diol  . It is also related to or classified as lactam  . It is also related to or classified as organic disulfide  . It is also related to or classified as secondary alcohol  . It is also related to or classified as bridged compound , cyclic ketone , organic heterohexacyclic compound .
The molecule CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](CCCCCCCCCCC(C)CC)O is a sphingomyelin obtained by formal condensation of the carboxy group of docosanoic acid with the amino group of 14-methylhexadecasphinganine-1-phosphocholine. It is a metabolite of the nematode Caenorhabditis elegans. It has a role as a Caenorhabditis elegans metabolite. It derives from a docosanoic acid.
The molecule [H][C@]12C[C@@]34SS[C@]5(C[C@]6([H])[C@@H](O)CC[C@H](O)[C@@]6([H])N5C3=O)C(=O)N4[C@]1([H])[C@@H](O)CC[C@@H]2O [H][C@]12C[C@@]34SS[C@]5(C[C@]6([H])[C@@H](O)CC[C@H](O)[C@@]6([H])N5C3=O)C(=O)N4[C@]1([H])[C@@H](O)CC[C@@H]2O is an organic disulfide  isolated from the whole broth of the marine-derived fungus Exserohilum rostratum and has been shown to exhibit antineoplastic activity. It has the role of metabolite . It has the role of antineoplastic agent . It is also related to or classified as lactam  .  It is also related to or classified as organic disulfide  . It is also related to or classified as secondary alcohol  . It is also related to or classified as tetrol , bridged compound , organic heterohexacyclic compound .
The molecule C(C=O)[C@@H]([C@@H](COP(=O)(O)O)O)O is the 5-O-phosphono derivative of 2-deoxy-D-ribose. It has a role as a metabolite. It derives from a D-ribose. It is a conjugate acid of a 2-deoxy-D-ribose 5-phosphate(2-).
The molecule COC1=CC(CC[NH3+])=CC=C1O COC1=CC(CC[NH3+])=CC=C1O is A primary ammonium ion that is the conjugate acid of 3-methoxytyramine resulting from the protonation of the primary amino group; Major microspecies at pH 7.3. It is a conjugate acid of 3-methoxytyramine . It is also related to or classified as primary ammonium ion  .
The molecule [C@H](CCCC(O)=O)(/C=C/C=C\C/C=C\C\C=C/C=C/[C@@H](CC)O)OO [C@H](CCCC(O)=O)(/C=C/C=C\C/C=C\C\C=C/C=C/[C@@H](CC)O)OO is A polyunsaturated fatty acid that is (6E,8Z,11Z,14Z,16E)-icosapentaenoic acid substituted at positions 5 and 18 by hydroperoxy and hydroxy groups respectively (the 5S, 18R-stereoisomer). It has the role of human xenobiotic metabolite . It has the role of human blood serum metabolite . It is a conjugate acid of 5(S)-hydroperoxy-18(R)-hydroxy-(6E,8Z,11Z,14Z,16E)-icosapentaenoate . It is also related to or classified as (5S)-hydroperoxy-18-hydroxy-EPE  .
The molecule COc1ccc(cc1)[C@@]12Oc3cc(OC)cc(OC)c3[C@]1(O)[C@H](O)[C@@H]([C@H]2c1ccccc1)C(=O)N(C)C COc1ccc(cc1)[C@@]12Oc3cc(OC)cc(OC)c3[C@]1(O)[C@H](O)[C@@H]([C@H]2c1ccccc1)C(=O)N(C)C is an organic heterotricyclic compound that is 2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan substituted by hydroxy groups at positions 1 and 8b, methoxy groups at positions 6 and 8, a 4-methoxyphenyl group at position 3a, a phenyl group at position 3 and a N,N-dimethylcarbamoyl group at position 1. Isolated from Aglaia odorata and Aglaia duperreana, it exhibits antineoplastic activity. It has the role of metabolite . It has the role of antineoplastic agent . It has the role of antileishmanial agent .   It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as monomethoxybenzene , organic heterotricyclic compound .