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CHEBI:211099 - [(3S,4S)-6-[(3S)-7-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-10-hydroxy-9-methoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl]-10-hydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-4-yl] acetate

ChEBI IDCHEBI:211099
ChEBI Name[(3S,4S)-6-[(3S)-7-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-10-hydroxy-9-methoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl]-10-hydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-4-yl] acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H46O15
Net Charge0
Average Mass766.793
Monoisotopic Mass766.28367
SMILESCOc1cc(OC)c2c(O)c3c(cc2c1-c1c2c(c(O)c4c(OC)cc(OC5OC(CO)C(OC)C(O)C5O)cc14)CO[C@@H](C)C2)[C@H](OC(C)=O)[C@H](C)OC3
InChIInChI=1S/C40H46O15/c1-16-8-20-24(14-51-16)34(43)32-22(9-19(10-26(32)47-4)54-40-37(46)36(45)39(50-7)29(13-41)55-40)30(20)31-23-11-21-25(15-52-17(2)38(21)53-18(3)42)35(44)33(23)28(49-6)12-27(31)48-5/h9-12,16-17,29,36-41,43-46H,8,13-15H2,1-7H3/t16-,17-,29?,36?,37?,38+,39?,40?/m0/s1
InChIKeyWWMFRHLTGLCMDR-QSLBZYNZSA-N
Species of MetaboliteComponentSourceComments
Conoideocrella (ncbitaxon:1105318) - DOI (10.1016/j.tet.2015.02.082)
ChEBI Ontology
Outgoing Relation(s)
[(3S,4S)-6-[(3S)-7-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-10-hydroxy-9-methoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl]-10-hydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-4-yl] acetate (CHEBI:211099) is a glycoside (CHEBI:24400)
[(3S,4S)-6-[(3S)-7-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-10-hydroxy-9-methoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl]-10-hydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-4-yl] acetate (CHEBI:211099) is a lignan (CHEBI:25036)
IUPAC Name 
[(3S,4S)-6-[(3S)-7-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-10-hydroxy-9-methoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl]-10-hydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-4-yl] acetate