EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:204402 - 2-[[(3S,4R)-10-hydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-4-yl]oxy]-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol

ChEBI IDCHEBI:204402
ChEBI Name2-[[(3S,4R)-10-hydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-4-yl]oxy]-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H30O10
Net Charge0
Average Mass466.483
Monoisotopic Mass466.18390
SMILESCOc1cc(OC)c2c(O)c3c(cc2c1)[C@@H](OC1OC(CO)C(OC)C(O)C1O)[C@H](C)OC3
InChIInChI=1S/C23H30O10/c1-10-21(33-23-20(27)19(26)22(30-4)16(8-24)32-23)13-6-11-5-12(28-2)7-15(29-3)17(11)18(25)14(13)9-31-10/h5-7,10,16,19-27H,8-9H2,1-4H3/t10-,16?,19?,20?,21-,22?,23?/m0/s1
InChIKeyGZGHNNRPAZRWMW-VMLWIOBMSA-N
Species of MetaboliteComponentSourceComments
Conoideocrella (ncbitaxon:1105318) - DOI (10.1016/j.tet.2015.02.082)
ChEBI Ontology
Outgoing Relation(s)
2-[[(3S,4R)-10-hydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-4-yl]oxy]-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol (CHEBI:204402) is a organic heterotricyclic compound (CHEBI:26979)
2-[[(3S,4R)-10-hydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-4-yl]oxy]-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol (CHEBI:204402) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
2-[[(3S,4R)-10-hydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-4-yl]oxy]-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol
Manual XrefsDatabases
78445129ChemSpider