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CHEBI:229148 - Kadsurenin B

ChEBI IDCHEBI:229148
ChEBI NameKadsurenin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H22O5
Net Charge0
Average Mass342.391
Monoisotopic Mass342.14672
SMILES[H][C@]12C(=O)C(CC=C)=C[C@](OC)([C@H](C)[C@H]1c1ccc3c(c1)OCO3)[C@@H]2O
InChIInChI=1S/C20H22O5/c1-4-5-13-9-20(23-3)11(2)16(17(18(13)21)19(20)22)12-6-7-14-15(8-12)25-10-24-14/h4,6-9,11,16-17,19,22H,1,5,10H2,2-3H3/t11-,16+,17-,19-,20+/m1/s1
InChIKeyARFBOYDNJXQGTO-MZERNFPUSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
Kadsurenin B (CHEBI:229148) is a benzodioxoles (CHEBI:38298)
IUPAC Name 
(1S,5R,6R,7R,8R)-7-(1,3-benzodioxol-5-yl)-8-hydroxy-5-methoxy-6-methyl-3-prop-2-enylbicyclo[3.2.1]oct-3-en-2-one