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CHEBI:205034 - 2-[[(3S)-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-10-yl]oxy]-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol

ChEBI IDCHEBI:205034
ChEBI Name2-[[(3S)-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-10-yl]oxy]-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H30O9
Net Charge0
Average Mass450.484
Monoisotopic Mass450.18898
SMILESCOc1cc(OC)c2c(OC3OC(CO)C(OC)C(O)C3O)c3c(cc2c1)C[C@H](C)OC3
InChIInChI=1S/C23H30O9/c1-11-5-12-6-13-7-14(27-2)8-16(28-3)18(13)21(15(12)10-30-11)32-23-20(26)19(25)22(29-4)17(9-24)31-23/h6-8,11,17,19-20,22-26H,5,9-10H2,1-4H3/t11-,17?,19?,20?,22?,23?/m0/s1
InChIKeyQEGDQNJTIWHKPB-NLOKDFFWSA-N
Species of MetaboliteComponentSourceComments
Conoideocrella (ncbitaxon:1105318) - DOI (10.1016/j.tet.2015.02.082)
ChEBI Ontology
Outgoing Relation(s)
2-[[(3S)-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-10-yl]oxy]-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol (CHEBI:205034) is a glycoside (CHEBI:24400)
IUPAC Name 
2-[[(3S)-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-10-yl]oxy]-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol
Manual XrefsDatabases
78445138ChemSpider