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CHEBI:200901 - 3-[[(3S)-10-hydroxy-9-methoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-7-yl]oxy]-6-(hydroxymethyl)-5-methoxyoxane-2,4-diol

ChEBI IDCHEBI:200901
ChEBI Name3-[[(3S)-10-hydroxy-9-methoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-7-yl]oxy]-6-(hydroxymethyl)-5-methoxyoxane-2,4-diol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H28O9
Net Charge0
Average Mass436.457
Monoisotopic Mass436.17333
SMILESCOc1cc(OC2C(O)OC(CO)C(OC)C2O)cc2cc3c(c(O)c12)CO[C@@H](C)C3
InChIInChI=1S/C22H28O9/c1-10-4-11-5-12-6-13(7-15(27-2)17(12)18(24)14(11)9-29-10)30-21-19(25)20(28-3)16(8-23)31-22(21)26/h5-7,10,16,19-26H,4,8-9H2,1-3H3/t10-,16?,19?,20?,21?,22?/m0/s1
InChIKeyRBGCWNKNCPAXOP-FNPWKDEXSA-N
Species of MetaboliteComponentSourceComments
Conoideocrella (ncbitaxon:1105318) - DOI (10.1016/j.tet.2015.02.082)
ChEBI Ontology
Outgoing Relation(s)
3-[[(3S)-10-hydroxy-9-methoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-7-yl]oxy]-6-(hydroxymethyl)-5-methoxyoxane-2,4-diol (CHEBI:200901) is a organic heterotricyclic compound (CHEBI:26979)
3-[[(3S)-10-hydroxy-9-methoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-7-yl]oxy]-6-(hydroxymethyl)-5-methoxyoxane-2,4-diol (CHEBI:200901) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
3-[[(3S)-10-hydroxy-9-methoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-7-yl]oxy]-6-(hydroxymethyl)-5-methoxyoxane-2,4-diol
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