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CHEBI:203095 - (3S)-10-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-7,9-dimethoxy-3-methyl-1H-benzo[g]isochromen-4-one

ChEBI IDCHEBI:203095
ChEBI Name(3S)-10-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-7,9-dimethoxy-3-methyl-1H-benzo[g]isochromen-4-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H28O10
Net Charge0
Average Mass464.467
Monoisotopic Mass464.16825
SMILESCOc1cc(OC)c2c(OC3OC(CO)C(OC)C(O)C3O)c3c(cc2c1)C(=O)[C@H](C)OC3
InChIInChI=1S/C23H28O10/c1-10-18(25)13-6-11-5-12(28-2)7-15(29-3)17(11)21(14(13)9-31-10)33-23-20(27)19(26)22(30-4)16(8-24)32-23/h5-7,10,16,19-20,22-24,26-27H,8-9H2,1-4H3/t10-,16?,19?,20?,22?,23?/m0/s1
InChIKeyXFGOAHCVYXKTAC-OKJBPXBFSA-N
Species of MetaboliteComponentSourceComments
Conoideocrella (ncbitaxon:1105318) - DOI (10.1016/j.tet.2015.02.082)
ChEBI Ontology
Outgoing Relation(s)
(3S)-10-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-7,9-dimethoxy-3-methyl-1H-benzo[g]isochromen-4-one (CHEBI:203095) is a benzochromenone (CHEBI:64986)
(3S)-10-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-7,9-dimethoxy-3-methyl-1H-benzo[g]isochromen-4-one (CHEBI:203095) is a glycoside (CHEBI:24400)
IUPAC Name 
(3S)-10-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-7,9-dimethoxy-3-methyl-1H-benzo[g]isochromen-4-one
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78445104ChemSpider