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CHEBI:173271 - 1-Methoxyphaseollin

Default Structure
ChEBI IDCHEBI:173271
ChEBI Name1-Methoxyphaseollin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20O5
Net Charge0
Average Mass352.386
Monoisotopic Mass352.13107
SMILESCOc1c(O)ccc2c1OCC1c3ccc4c(c3OC21)C=CC(C)(C)O4
InChIInChI=1S/C21H20O5/c1-21(2)9-8-12-16(26-21)7-5-11-14-10-24-19-13(18(14)25-17(11)12)4-6-15(22)20(19)23-3/h4-9,14,18,22H,10H2,1-3H3
InChIKeyJQFXBCOZQHXLQX-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-Methoxyphaseollin (CHEBI:173271) is a pterocarpans (CHEBI:26377)
IUPAC Name 
6-methoxy-17,17-dimethyl-4,12,18-trioxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),5(10),6,8,14(19),15,20-heptaen-7-ol
Manual XrefsDatabases
35015119ChemSpider
HMDB0041172HMDB