EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:208481 - 10-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-5-hydroxy-7,9-dimethoxy-3-methyl-1H-benzo[g]isochromen-4-one

ChEBI IDCHEBI:208481
ChEBI Name10-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-5-hydroxy-7,9-dimethoxy-3-methyl-1H-benzo[g]isochromen-4-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H28O11
Net Charge0
Average Mass480.466
Monoisotopic Mass480.16316
SMILESCOc1cc(OC)c2c(O[C@@H]3O[C@H](CO)[C@@H](OC)[C@H](O)[C@H]3O)c3c(c(O)c2c1)C(=O)C(C)OC3
InChIInChI=1S/C23H28O11/c1-9-17(25)16-12(8-32-9)21(15-11(18(16)26)5-10(29-2)6-13(15)30-3)34-23-20(28)19(27)22(31-4)14(7-24)33-23/h5-6,9,14,19-20,22-24,26-28H,7-8H2,1-4H3/t9?,14-,19-,20-,22-,23+/m1/s1
InChIKeyWVVBYVSSTCARRR-UAPCURFKSA-N
Species of MetaboliteComponentSourceComments
Conoideocrella (ncbitaxon:1105318) - DOI (10.1016/j.tet.2015.02.082)
ChEBI Ontology
Outgoing Relation(s)
10-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-5-hydroxy-7,9-dimethoxy-3-methyl-1H-benzo[g]isochromen-4-one (CHEBI:208481) is a benzochromenone (CHEBI:64986)
10-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-5-hydroxy-7,9-dimethoxy-3-methyl-1H-benzo[g]isochromen-4-one (CHEBI:208481) is a glycoside (CHEBI:24400)
IUPAC Name 
10-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-5-hydroxy-7,9-dimethoxy-3-methyl-1H-benzo[g]isochromen-4-one
Manual XrefsDatabases
78437919ChemSpider