mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>C[C@H]1[C@@H](C)[C@H](O[C@@H]1c1ccc(O)cc1)c1ccc(O)cc1</smiles> is A  lignan that consists of a 3,4-dimethyloxolane ring substituted by 4-hydroxyphenyl groups at positions 2 and 5 respectively (the 2S,3R,4S,5S-stereoisomer). Isolated from the roots of Krameria lappacea, it exhibits anti-inflammatory activity. It has the role of cyclooxygenase 2 inhibitor. It has the role of cyclooxygenase 1 inhibitor. It has the role of anti-inflammatory agent. It has the role of NF-kappaB inhibitor. It has the role of plant metabolite. It is also related to or classified as lignan .  It is also related to or classified as phenols . It is also related to or classified as oxolanes.
The molecule <smiles>OC1O[C@H](COS(O)(=O)=O)[C@@H](O[C@@H]2O[C@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)[C@H](O)[C@H]1NS(O)(=O)=O</smiles> is A two-membered oligosaccharide sulfate that consists of 2-deoxy-6-O-sulfo-2-(sulfoamino)-D-glucose having an alpha-L-idopyranuronosyl residue attached at the 4-position. It is also related to or classified as oligosaccharide sulfate.
The molecule <smiles>COc1cc(O)ccc1-c1cc2cc(CCCO)ccc2o1</smiles> is A member of the class of  benzofurans that is  1-benzofuran substituted by a 3-hydroxypropyl group at position 5 and a 4-hydroxy-2-methoxyphenyl group at position 2. It is a lignan derivative isolated from the roots of Krameria lappacea. It has the role of cyclooxygenase 2 inhibitor. It has the role of cyclooxygenase 1 inhibitor. It has the role of anti-inflammatory agent. It has the role of NF-kappaB inhibitor. It has the role of plant metabolite. It is also related to or classified as primary alcohol .  It is also related to or classified as phenols . It is also related to or classified as monomethoxybenzene, benzofurans.
The molecule <smiles>OC1O[C@H](COS(O)(=O)=O)[C@@H](O[C@@H]2O[C@H]([C@@H](O[C@H]3O[C@H](COS(O)(=O)=O)[C@@H](O)[C@H](O)[C@H]3NS(O)(=O)=O)[C@H](O)[C@H]2OS(O)(=O)=O)C(O)=O)[C@H](O)[C@H]1NS(O)(=O)=O</smiles> is A three-membered linear oligosaccharide sulfate that consists of a 2-O-sulfo-L-idopyranuronic acid residue flanked by two 6-O-sulfo-2-(sulfoamino)-D-glucopyranose residues, connected via alpha-(1->4)-linkages. It is also related to or classified as oligosaccharide sulfate.
The molecule <smiles>C=1N=CC(/C=C/C=C/C=C(/C=C/C=2OC(C(=C(C2)OC)C)=O)\C)=CC1</smiles> is Pyridinopyrone C. It has the role of metabolite. It is also related to or classified as 2-pyranones.
The molecule <smiles>OC1O[C@H]([C@@H](O[C@H]2O[C@H](COS(O)(=O)=O)[C@@H](O)[C@H](O)[C@H]2NS(O)(=O)=O)[C@H](O)[C@H]1OS(O)(=O)=O)C(O)=O</smiles> is A two-membered oligosaccharide sulfate that consists of 2-O-sulfo-L-idopyranuronic acid having a 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranosyl residue attached at the 4-position. It is also related to or classified as oligosaccharide sulfate.
The molecule <smiles>C=1N=CC(/C=C/C=C(/C=C/C=C/C=2OC(C(=C(C2)OC)C)=O)\C)=CC1</smiles> is Pyridinopyrone B. It has the role of metabolite. It is also related to or classified as 2-pyranones.
The molecule <smiles>Cc1c(C=C)c2C=C3[N+]4=C(C=c5c(CCC([O-])=O)c(C)c6=CC7=[N+]8C(=Cc1n2[Fe--]48n56)C(C=C)=C7C)[C@](O)(CCC([O-])=O)[C@@]3(C)O</smiles> is A dicarboxylic acid dianion resulting from the removal of a proton from both of the carboxy groups of heme d cis-diol. It has the role of cofactor. It is also related to or classified as dicarboxylic acid dianion .
The molecule <smiles>C=1N=CC(/C=C/C=C(/C=C/C=C/C=2OC(C=C(C2)OC)=O)\C)=CC1</smiles> is Pyridinopyrone A. It has the role of metabolite. It is also related to or classified as 2-pyranones.
The molecule <smiles>Cc1c(C=C)c2C=C3[N+]4=C(C=c5c(CCC([O-])=O)c(C)c6=CC7=[N+]8C(=Cc1n2[Fe--]48n56)C(C=C)=C7C)[C@](O)(CCC([O-])=O)[C@]3(C)O</smiles> is A dicarboxylic acid dianion resulting from the removal of a proton from both of the carboxy groups of heme d trans-diol. It is also related to or classified as dicarboxylic acid dianion .
The molecule <smiles>[H][C@@]12CCc3c(C(C)C)c(O)ccc3[C@@]1(C)CCCC2(C)C</smiles> is totarol. It has the role of metabolite. It is also related to or classified as diterpenoid .
The molecule <smiles>Cc1c(C=C)c2C=C3[N+]4=C(C=c5c(CCC(O)=O)c(C)c6=CC7=[N+]8C(=Cc1n2[Fe--]48n56)C(C=C)=C7C)[C@](O)(CCC(O)=O)[C@]3(C)O</smiles> is A metallochlorin that is ferroheme b which is trans-dihydroxylated at positions 5 and 6. Its functional parent is ferroheme b. It is a conjugate acid of heme d trans-diol(2-). It is also related to or classified as diol . It is also related to or classified as tertiary alcohol . It is also related to or classified as dicarboxylic acid, ferroheme, metallochlorin.
The molecule <smiles>C([C@]1(C)CCC[C@]2([C@]1(CCC=3[C@@]2(CC[C@](C)(C=C)C3)[H])[H])C)(O)=O</smiles> is A pimarane diterpenoid that is (1S,4aS,4bS,7R,10aS)-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene carrying a carboxy group at position 1 and a vinyl group at position 7. It is a natural product found in several plant species. It has the role of plant metabolite. It is also related to or classified as monocarboxylic acid, pimarane diterpenoid, tricyclic diterpenoid.
The molecule <smiles>COC(=O)CCc1c(C)c2=CC3=[N+]4C(=Cc5c(C)c(C=C)c6C=C7[N+]8=C(C=c1n2[Fe--]48n56)[C@]1(CCC(=O)O1)[C@@]7(C)O)C(C=C)=C3C</smiles> is A carboxylic ester that is the methyl ester of cis-heme d hydroxychlorin gamma-spirolactone. Its functional parent is methanol. Its functional parent is cis-heme d hydroxychlorin gamma-spirolactone. It is also related to or classified as methyl ester .  It is also related to or classified as gamma-lactone . It is also related to or classified as azaspiro compound, oxaspiro compound, ferroheme, metallochlorin.
The molecule <smiles>[H][C@]12CC[C@](C)(C=C)C=C1CC[C@@]1([H])[C@](C)(C=O)[C@@H](O)CC[C@]21C</smiles> is sandaracopimaradienolal. It has the role of metabolite. It is also related to or classified as diterpenoid .
The molecule <smiles>Cc1c(C=C)c2C=C3[N+]4=C(C=c5c(CCC([O-])=O)c(C)c6=CC7=[N+]8C(=Cc1n2[Fe--]48n56)C(C=C)=C7C)[C@@]1(CCC(=O)O1)[C@@]3(C)O</smiles> is A monocarboxylic acid anion resulting from the removal of a proton from the carboxylic acid group of trans-heme d hydroxychlorin gamma-spirolactone. It is also related to or classified as monocarboxylic acid anion .
The molecule <smiles>[H][C@]12CC[C@](C)(C=C)C=C1CC[C@@]1([H])[C@](C)(CO)[C@@H](O)CC[C@]21C</smiles> is sandaracopimaradienediol. It has the role of metabolite. It is also related to or classified as diterpenoid .
The molecule <smiles>Cc1c(C=C)c2C=C3[N+]4=C(C=c5c(CCC(O)=O)c(C)c6=CC7=[N+]8C(=Cc1n2[Fe--]48n56)C(C=C)=C7C)[C@@]1(CCC(=O)O1)[C@@]3(C)O</smiles> is A metallochlorin that is ferroheme b which is hydroxylated at positions 5 and 6, and in which the resulting 6-hydroxy group undergoes formal condensation with the carboxy group of the 6-carboxyethyl group to afford the corresponding spirolactone in which the oxygen atoms at positions 5 and 6 are trans to each other. It is a conjugate acid of trans-heme d hydroxychlorin gamma-spirolactone(1-).  It is also related to or classified as tertiary alcohol .  It is also related to or classified as gamma-lactone . It is also related to or classified as monocarboxylic acid, azaspiro compound, oxaspiro compound, ferroheme, metallochlorin.
The molecule <smiles>[H][C@@]12CCC(=C)[C@H](CCC3=CCOC3=O)[C@@]1(C)CCC[C@]2(C)C(=O)OC</smiles> is pinusolide. It has the role of metabolite. It is also related to or classified as diterpene lactone.
The molecule <smiles>CC1C2=[N+]3C(=Cc4c(C)c(CCC([O-])=O)c5C=C6C(CCC([O-])=O)=C(C)C7=[N+]6[Fe--]3(n45)n3c(=C2)c(C)c(C)c3=C7)C1(C)C</smiles> is A dicarboxylic acid dianion resulting from the removal of a proton from both of the carboxy groups of iron methylchlorin. Major species at pH 7.3. It is also related to or classified as dicarboxylic acid dianion .
The molecule <smiles>COc1cc(\C=N/O)nc(c1)-c1ccccn1</smiles> is A pyridine alkaloid that is 2,2'-bipyridine substituted by a methoxy group at position 4 and a (Z)-(hydroxyimino)methyl group at position 6. It has been isolated from the marine-derived actinomycete Actinoalloteichus cyanogriseus. It has the role of marine metabolite. It has the role of bacterial metabolite. It is also related to or classified as aldoxime . It is also related to or classified as pyridine alkaloid, aromatic ether, bipyridines.
The molecule <smiles>CC1C2=[N+]3C(=Cc4c(C)c(CCC(O)=O)c5C=C6C(CCC(O)=O)=C(C)C7=[N+]6[Fe--]3(n45)n3c(=C2)c(C)c(C)c3=C7)C1(C)C</smiles> is A metallochlorin that is the iron(II) complex of 7,8-dihydroporphyrin which is substituted by methyl groups at positions 3, 7, 7, 8, 12, 13, and 17, and by carboxyethyl groups at positions 2 and 18. It is a conjugate acid of iron methylchlorin(2-). It is also related to or classified as dicarboxylic acid, ferroheme, metallochlorin.
The molecule <smiles>COc1cc(nc(c1)-c1ccccn1)C#N</smiles> is A pyridine alkaloid that is 2,2'-bipyridine-6-carbonitrile substituted by a methoxy group at position 4. Isolated from the marine-derived actinomycete Actinoalloteichus cyanogriseus, it exhibits antineoplastic activity. It has the role of antineoplastic agent. It has the role of marine metabolite. It has the role of bacterial metabolite. It is also related to or classified as nitrile . It is also related to or classified as pyridine alkaloid, aromatic ether, bipyridines.
The molecule <smiles>CC(C)CC(C)(C)C</smiles> is an alkane that consists of pentane bearing two methyl substituents at position 2 and a single methyl substituent at position 4. It has the role of non-polar solvent. It has the role of nephrotoxic agent. It has the role of fuel additive.  It is also related to or classified as alkane . It is also related to or classified as volatile organic compound.
The molecule <smiles>COc1cc(nc(c1)-c1ccccn1)C(N)=O</smiles> is A pyridine alkaloid that is 2,2'-bipyridine substituted by a methoxy group at position 4 and an aminocarbonyl group at position 6. Isolated from the marine-derived actinomycete Actinoalloteichus cyanogriseus, it exhibits antineoplastic activity. It has the role of antineoplastic agent. It has the role of marine metabolite. It has the role of bacterial metabolite. It is also related to or classified as pyridinecarboxamide, pyridine alkaloid, aromatic ether, bipyridines.
The molecule <smiles>[H][C]([H])C([H])([H])[H]</smiles> is an organic radical derived from ethane. It is also related to or classified as organic radical.
The molecule <smiles>COc1cc(\C=N\O)nc(-c2ccccn2)c1OC</smiles> is A pyridine alkaloid that is 2,2'-bipyridine substituted by methoxy groups at positions 3 and 4 and a (E)-(hydroxyimino)methyl group at position 6. Isolated from the marine-derived actinomycete Actinoalloteichus cyanogriseus, it exhibits antineoplastic activity. It has the role of antineoplastic agent. It has the role of marine metabolite. It has the role of bacterial metabolite. It is also related to or classified as aldoxime . It is also related to or classified as pyridine alkaloid, aromatic ether, bipyridines.
The molecule <smiles>OC[C@@H]1O[C@@H](OC[C@@H]2O[C@@H](OC[C@@H]3O[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O</smiles> is A trisaccharide consisting of three alpha-L-arabinose units connected via (1->5) linkages. It is also related to or classified as alpha-L-Araf-(1->5)-alpha-L-Araf-(1->5)-L-Araf .
The molecule <smiles>COc1cc(\C=N\O)nc(c1)-c1ccccn1</smiles> is A pyridine alkaloid that is 2,2'-bipyridine substituted by a methoxy group at position 4 and a (E)-(hydroxyimino)methyl group at position 6. Isolated from the marine-derived actinomycete Actinoalloteichus cyanogriseus, it exhibits antineoplastic activity. It has the role of antineoplastic agent. It has the role of marine metabolite. It has the role of bacterial metabolite. It is also related to or classified as aldoxime . It is also related to or classified as pyridine alkaloid, aromatic ether, bipyridines.
The molecule <smiles>OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@H](O[C@@H]3[C@@H](O)[C@@H](O)O[C@H](CO)[C@H]3O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O</smiles> is A trisaccharide consisting of three alpha-D-glucose units connected via (1->3) linkages. Also known as alpha-nigerotriose. It is also related to or classified as alpha-D-Glcp-(1->3)-alpha-D-Glcp-(1->3)-D-Glcp . It is also related to or classified as glucotriose.
The molecule <smiles>COc1cc(\C=N\O)nc(c1)-c1ccccc1</smiles> is A pyridine alkaloid that is 2-phenylpyridine substituted by a methoxy group at position 4 and a (E)-(hydroxyimino)methyl group at position 6. Isolated from the marine-derived actinomycete Actinoalloteichus cyanogriseus, it exhibits antineoplastic activity. It has the role of antineoplastic agent. It has the role of marine metabolite. It has the role of bacterial metabolite. It is also related to or classified as aldoxime . It is also related to or classified as pyridine alkaloid, aromatic ether.
The molecule <smiles>O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O[C@@H]3CO[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O</smiles> is A trisaccharide consisting of three beta-D-xylose units connected via (1->4)-linkages. It is also related to or classified as beta-D-Xylp-(1->4)-beta-D-Xylp-(1->4)-D-Xylp .
The molecule <smiles>CC(=O)NCc1cc(O)cc(n1)-c1ccccn1</smiles> is A pyridine alkaloid that is 2,2'-bipyridine substituted by a hydroxy group at position 4 and an (acetylamino)methyl group at position 6.  Isolated from the marine-derived actinomycete Actinoalloteichus cyanogriseus, it exhibits antineoplastic activity. It has the role of antineoplastic agent. It has the role of marine metabolite. It has the role of bacterial metabolite. It is also related to or classified as acetamides, pyridine alkaloid, monohydroxypyridine, bipyridines.
The molecule <smiles>OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O</smiles> is A trisaccharide consisting of three beta-D-mannose units connected via (1->4) linkages. It is also related to or classified as beta-D-Manp-(1->4)-beta-D-Manp-(1->4)-D-Manp .
The molecule <smiles>CONC(=O)c1cc(OC)cc(n1)-c1ccccn1</smiles> is A pyridine alkaloid that is 2,2'-bipyridine-6-carboxamide substituted by methoxy groups at position 4 and carbamoyl nitrogen respectively. Isolated from the marine-derived actinomycete Actinoalloteichus cyanogriseus, it exhibits antineoplastic activity. It has the role of antineoplastic agent. It has the role of marine metabolite. It has the role of bacterial metabolite. It is also related to or classified as pyridinecarboxamide, pyridine alkaloid, aromatic ether, bipyridines.
The molecule <smiles>COc1cc(cc(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)c1O)C([O-])=O</smiles> is A 3-methoxy-4-hydroxy-5-all-trans-polyprenylbenzoate in which the polyprenyl chain contains 9 prenyl units; major species at pH 7.3. It is also related to or classified as 3-methoxy-4-hydroxy-5-all-trans-polyprenylbenzoate.
The molecule <smiles>O\N=C\c1cc(O)cc(n1)-c1ccccn1</smiles> is A pyridine alkaloid that is  2,2'-bipyridine substituted by a hydroxy group at position 4 and a (E)-(hydroxyimino)methyl group at position 6. Isolated from the marine-derived actinomycete Actinoalloteichus cyanogriseus, it exhibits antineoplastic activity. It has the role of antineoplastic agent. It has the role of marine metabolite. It has the role of bacterial metabolite. It is also related to or classified as aldoxime . It is also related to or classified as pyridine alkaloid, monohydroxypyridine, bipyridines.
The molecule <smiles>COc1cc(cc(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)c1O)C(O)=O</smiles> is A monohydroxybenzoic acid that is 4-hydroxybenzoic acid in which the hydrogens at positions 3 and 5 are substituted by a methoxy and a nonaprenyl group. Its functional parent is 3-nonaprenyl-4,5-dihydroxybenzoic acid. It is a conjugate acid of 3-nonaprenyl-4-hydroxy-5-methoxybenzoate.   It is also related to or classified as phenols . It is also related to or classified as methoxybenzoic acid, monohydroxybenzoic acid.
The molecule <smiles>COc1cc(CO)nc(-c2ccccn2)c1OC</smiles> is A pyridine alkaloid that is 2,2'-bipyridine substituted at position 6 by a hydroxymethyl group and at positions 3 and 4 by methoxy groups respectively. Isolated from the marine-derived actinomycete Actinoalloteichus cyanogriseus, it exhibits antineoplastic activity. It has the role of antineoplastic agent. It has the role of marine metabolite. It has the role of bacterial metabolite. It is also related to or classified as pyridine alkaloid, aromatic ether, monohydroxypyridine, bipyridines.
The molecule <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1cc(cc(O)c1O)C([O-])=O</smiles> is A 3,4-dihydroxy-5-polyprenylbenzoate in which the polyprenyl chain contains 9 prenyl units; major species at pH 7.3. It is also related to or classified as 3,4-dihydroxy-5-polyprenylbenzoate.
The molecule <smiles>COc1cc(CO)nc(c1)-c1ccccn1</smiles> is A  pyridine alkaloid that is 2,2'-bipyridine substituted at position 6 by a hydroxymethyl group and at position 4 by a methoxy group. Isolated from the marine-derived actinomycete Actinoalloteichus cyanogriseus, it exhibits antineoplastic activity. It has the role of antineoplastic agent. It has the role of marine metabolite. It has the role of bacterial metabolite. It is also related to or classified as pyridine alkaloid, aromatic ether, monohydroxypyridine, bipyridines.
The molecule <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1cc(cc(O)c1O)C(O)=O</smiles> is A dihydroxybenzoic acid that is 3,4-dihydroxybenzoic acid in which the hydrogen at position 5 is substituted by a nonaprenyl group. It is a conjugate acid of 3-nonaprenyl-4,5-dihydroxybenzoate.  It is also related to or classified as catechols . It is also related to or classified as dihydroxybenzoic acid.
The molecule <smiles>CC1(C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)(C=C[C@@H]2[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]42C)[C@@H]3C1</smiles> is A terpene lactone that is 13,28-epoxyolean-11-en-28-one substituted by an alpha-hydroxy group at position 3. It has been isolated from the leaves and twigs of Fatsia polycarpa. It has the role of metabolite. It has the role of plant metabolite. It is also related to or classified as secondary alcohol . It is also related to or classified as terpene lactone, hexacyclic triterpenoid.
The molecule <smiles>C[C@H](OP(O)(=O)OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2cc(OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c3nc(N)[nH]c4=O)ccc2cc2c1nc(=O)[nH]c2=O)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O</smiles> is 8-OH guanylated form of the deazaflavin coenzyme F420. It has the role of coenzyme. Its functional parent is guanosine 5'-monophosphate. Its functional parent is 7,8-didemethyl-8-hydroxy-5-deazariboflavin. It is also related to or classified as ribitol phosphate, pyrimidoquinolines.
The molecule <smiles>CC1(C)CC[C@@]2(CC[C@]3(C)C(C=C[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)=C2C1)C(O)=O</smiles> is A pentacyclic triterpenoid that is oleana-11,13(18)-diene substituted by an alpha-hydroxy group at position 3 and a carboxy group at position 28. It has been isolated from the leaves and twigs of Fatsia polycarpa. It has the role of metabolite. It has the role of plant metabolite. It is also related to or classified as pentacyclic triterpenoid, hydroxy monocarboxylic acid.
The molecule <smiles>OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)OC(O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O</smiles> is A mannotriose consisting of three mannose units connected via beta-(1->4) linkages. It is also related to or classified as mannotriose.
The molecule <smiles>CC1(C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)(C=C[C@@H]2[C@@]5(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]42C)[C@@H]3C1</smiles> is A terpene lactone that is 13,28-epoxyolean-11-en-28-one substituted by hydroxy groups at positions 3 and 23. Isolated from the leaves and twigs of Fatsia polycarpa, it exhibits anti-HBV activity. It has the role of metabolite. It has the role of anti-HBV agent. It has the role of plant metabolite. It is also related to or classified as diol . It is also related to or classified as terpene lactone, hexacyclic triterpenoid.
The molecule <smiles>C[C@H](OP(O)(=O)OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2cc(OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)ccc2cc2c1nc(=O)[nH]c2=O)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O</smiles> is 8-OH adenylated form of the deazaflavin coenzyme F420. It has the role of coenzyme. Its functional parent is adenosine 5'-monophosphate. Its functional parent is 7,8-didemethyl-8-hydroxy-5-deazariboflavin. It is also related to or classified as ribitol phosphate, pyrimidoquinolines.
The molecule <smiles>CO[C@@H]1C=C2[C@@H]3CC(C)(C)CC[C@@]3(CC[C@@]2(C)[C@]2(C)CC[C@H]3C(C)(C)[C@H](O)CC[C@]3(C)[C@@H]12)C(O)=O</smiles> is A pentacyclic triterpenoid that is olean-12-ene substituted by an alpha-hydroxy group at position 3, an alpha-methoxy group at position 11 and a carboxy group at position 28. Isolated from the leaves and twigs of Fatsia polycarpa, it exhibits antibacterial and anti-HBV activities. It has the role of metabolite. It has the role of antibacterial agent. It has the role of anti-HBV agent. It has the role of plant metabolite. It is also related to or classified as ether . It is also related to or classified as pentacyclic triterpenoid, hydroxy monocarboxylic acid.
The molecule <smiles>O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O[C@@H]3COC(O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O</smiles> is A xylotriose consisting of three D-xylose units connected via beta-(1->4)-linkages. It is also related to or classified as xylotriose.
The molecule <smiles>CC1(C)CC[C@@]2(CC[C@]3(C)[C@H](C[C@@H](O)[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)C2=C1)C(O)=O</smiles> is A pentacyclic triterpenoid that is olean-18-ene substituted by alpha-hydroxy groups at positions 3 and 11 respectively and a carboxy group at position 28. It has been isolated from the leaves and twigs of Fatsia polycarpa. It has the role of plant metabolite. It is also related to or classified as pentacyclic triterpenoid, hydroxy monocarboxylic acid.
The molecule <smiles>OC[C@@H]1O[C@@H](OC[C@@H]2O[C@@H](OC[C@@H]3OC(O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O</smiles> is A trisaccharide consisting of three L-arabinose units connected via alpha-(1->5) linkages. It is also related to or classified as trisaccharide.
The molecule <smiles>CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC=C4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O</smiles> is A pentacyclic triterpenoid that is oleana-9(11),12-diene substituted by an alpha-hydroxy group at position 3 and a carboxy group at position 28. Isolated from the leaves and twigs of Fatsia polycarpa, it exhibits anti-HBV activity. It has the role of metabolite. It has the role of anti-HBV agent. It has the role of plant metabolite. It is also related to or classified as pentacyclic triterpenoid, hydroxy monocarboxylic acid.
The molecule <smiles>OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@H](O[C@@H]3[C@@H](O)C(O)O[C@H](CO)[C@H]3O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O</smiles> is A glucotriose consisting of three glucose units connected via alpha-(1->3) linkages. Also known as nigerotriose. It is also related to or classified as glucotriose.
The molecule <smiles>CC1(C)CC[C@@]2(CC[C@]3(C)C(C=C[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)(C=O)[C@@H]5CC[C@@]34C)=C2C1)C(O)=O</smiles> is A pentacyclic triterpenoid that is oleana-11,13(18)-diene substituted by a alpha-hydroxy group at position 3, an oxo group at position 23 and a carboxy group at position 28. Isolated from the leaves and twigs of Fatsia polycarpa, it exhibits anti-HBV activity. It has the role of antibacterial agent. It has the role of anti-HBV agent. It has the role of plant metabolite. It is also related to or classified as aldehyde . It is also related to or classified as pentacyclic triterpenoid, hydroxy monocarboxylic acid.
The molecule <smiles>OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)OC(O)(CO)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O</smiles> is A trisaccharide consisting of two glucose residues and one fructose (at the reducing end, connected by sequential alpha-(1->4)-linkages. It is also related to or classified as trisaccharide.