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CHEBI:220738 - [(3S,4S)-10-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-4-yl] acetate

ChEBI IDCHEBI:220738
ChEBI Name[(3S,4S)-10-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-4-yl] acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H32O11
Net Charge0
Average Mass508.520
Monoisotopic Mass508.19446
SMILESCOc1cc(OC)c2c(OC3OC(CO)C(OC)C(O)C3O)c3c(cc2c1)[C@H](OC(C)=O)[C@H](C)OC3
InChIInChI=1S/C25H32O11/c1-11-22(34-12(2)27)15-7-13-6-14(30-3)8-17(31-4)19(13)23(16(15)10-33-11)36-25-21(29)20(28)24(32-5)18(9-26)35-25/h6-8,11,18,20-22,24-26,28-29H,9-10H2,1-5H3/t11-,18?,20?,21?,22+,24?,25?/m0/s1
InChIKeyWDNCJISFISSTPN-HSEFLELMSA-N
Species of MetaboliteComponentSourceComments
Conoideocrella (ncbitaxon:1105318) - DOI (10.1016/j.tet.2015.02.082)
ChEBI Ontology
Outgoing Relation(s)
[(3S,4S)-10-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-4-yl] acetate (CHEBI:220738) is a glycoside (CHEBI:24400)
IUPAC Name 
[(3S,4S)-10-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-4-yl] acetate
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78445212ChemSpider