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CHEBI:211727 - [(3S,4S)-6-[(3S,4S)-4-acetyloxy-10-hydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl]-7,10-dihydroxy-9-methoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-4-yl] acetate

ChEBI IDCHEBI:211727
ChEBI Name[(3S,4S)-6-[(3S,4S)-4-acetyloxy-10-hydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl]-7,10-dihydroxy-9-methoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-4-yl] acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H36O12
Net Charge0
Average Mass648.661
Monoisotopic Mass648.22068
SMILESCOc1cc(OC)c2c(O)c3c(c(-c4c(O)cc(OC)c5c(O)c6c(cc45)[C@H](OC(C)=O)[C@H](C)OC6)c2c1)[C@H](OC(C)=O)[C@H](C)OC3
InChIInChI=1S/C35H36O12/c1-14-34(46-16(3)36)19-10-21-27(24(38)11-26(43-7)29(21)32(39)22(19)12-44-14)30-20-8-18(41-5)9-25(42-6)28(20)33(40)23-13-45-15(2)35(31(23)30)47-17(4)37/h8-11,14-15,34-35,38-40H,12-13H2,1-7H3/t14-,15-,34+,35+/m0/s1
InChIKeyIZLFEUFLSMAFJZ-GRHZFMAYSA-N
Species of MetaboliteComponentSourceComments
Conoideocrella (ncbitaxon:1105318) - DOI (10.1016/j.tet.2018.01.004)
ChEBI Ontology
Outgoing Relation(s)
[(3S,4S)-6-[(3S,4S)-4-acetyloxy-10-hydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl]-7,10-dihydroxy-9-methoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-4-yl] acetate (CHEBI:211727) is a lignan (CHEBI:25036)
IUPAC Name 
[(3S,4S)-6-[(3S,4S)-4-acetyloxy-10-hydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl]-7,10-dihydroxy-9-methoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-4-yl] acetate
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