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CHEBI:176050 - Kanzonol F

Default Structure
ChEBI IDCHEBI:176050
ChEBI NameKanzonol F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H28O5
Net Charge0
Average Mass420.505
Monoisotopic Mass420.19367
SMILES[H][C@@]12COc3cc(O)c(CC=C(C)C)c(OC)c3[C@]1([H])Oc1cc3c(cc12)C=CC(C)(C)O3
InChIInChI=1S/C26H28O5/c1-14(2)6-7-16-19(27)11-22-23(24(16)28-5)25-18(13-29-22)17-10-15-8-9-26(3,4)31-20(15)12-21(17)30-25/h6,8-12,18,25,27H,7,13H2,1-5H3/t18-,25+/m0/s1
InChIKeySVHCNENPWOPFOI-AVRWGWEMSA-N
ChEBI Ontology
Outgoing Relation(s)
Kanzonol F (CHEBI:176050) is a pterocarpans (CHEBI:26377)
IUPAC Name 
(1R,13R)-15-methoxy-7,7-dimethyl-16-(3-methylbut-2-enyl)-8,12,20-trioxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-2(11),3,5,9,14(19),15,17-heptaen-17-ol