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CHEBI:220580 - 6'-O-desmethyl ES-242-4

ChEBI IDCHEBI:220580
ChEBI Name6'-O-desmethyl ES-242-4
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SubmitterMetaboLights
DownloadsMolfile
FormulaC31H32O10
Net Charge0
Average Mass564.587
Monoisotopic Mass564.19955
SMILESCOc1cc(OC)c2c(O)c3c(c(-c4c5c(c(O)c6c(OC)cc(O)cc46)CO[C@@H](C)[C@H]5O)c2c1)[C@H](O)[C@H](C)OC3
InChIInChI=1S/C31H32O10/c1-12-28(33)26-18(10-40-12)30(35)22-16(6-14(32)7-20(22)38-4)24(26)25-17-8-15(37-3)9-21(39-5)23(17)31(36)19-11-41-13(2)29(34)27(19)25/h6-9,12-13,28-29,32-36H,10-11H2,1-5H3/t12-,13-,28+,29+/m0/s1
InChIKeyAAAGKEAEOHPDBS-SAAODOGCSA-N
Species of MetaboliteComponentSourceComments
Cordyceps (ncbitaxon:45234) - PubMed (17887724)
ChEBI Ontology
Outgoing Relation(s)
6'-O-desmethyl ES-242-4 (CHEBI:220580) is a lignan (CHEBI:25036)
IUPAC Name 
(3S,4S)-5-[(3S,4S)-4,10-dihydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl]-9-methoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromene-4,7,10-triol
Manual XrefsDatabases
23310873ChemSpider