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CHEBI:173284 - (7'R*,8'S*)-Methyl 4,7'-epoxy-3,8'-bilign-7-ene-4',9'-dihydroxy-3',5-dimethoxy-9-oate

ChEBI IDCHEBI:173284
ChEBI Name(7'R*,8'S*)-Methyl 4,7'-epoxy-3,8'-bilign-7-ene-4',9'-dihydroxy-3',5-dimethoxy-9-oate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O7
Net Charge0
Average Mass386.400
Monoisotopic Mass386.13655
SMILESCOC(=O)/C=C\c1cc(OC)c2c(c1)C(CO)C(c1ccc(O)c(OC)c1)O2
InChIInChI=1S/C21H22O7/c1-25-17-10-13(5-6-16(17)23)20-15(11-22)14-8-12(4-7-19(24)27-3)9-18(26-2)21(14)28-20/h4-10,15,20,22-23H,11H2,1-3H3/b7-4-
InChIKeyDPDJZJNYBSGDHT-DAXSKMNVSA-N
ChEBI Ontology
Outgoing Relation(s)
(7'R*,8'S*)-Methyl 4,7'-epoxy-3,8'-bilign-7-ene-4',9'-dihydroxy-3',5-dimethoxy-9-oate (CHEBI:173284) is a benzofurans (CHEBI:35259)
IUPAC Name 
methyl (Z)-3-[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzouran-5-yl]prop-2-enoate
Manual XrefsDatabases
HMDB0034629HMDB
35013750ChemSpider