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CHEBI:191831 - (+)-12a-Hydroxypachyrrhizone

ChEBI IDCHEBI:191831
ChEBI Name(+)-12a-Hydroxypachyrrhizone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H14O8
Net Charge0
Average Mass382.324
Monoisotopic Mass382.06887
SMILESCOc1c2c(cc3ccoc13)C(=O)C1(O)c3cc4c(cc3OCC1O2)OCO4
InChIInChI=1S/C20H14O8/c1-23-18-16-9(2-3-24-16)4-10-17(18)28-15-7-25-12-6-14-13(26-8-27-14)5-11(12)20(15,22)19(10)21/h2-6,15,22H,7-8H2,1H3
InChIKeyDDGYXSWHWAQNRQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
seed (BTO:0001226) MetaboLights (MTBLS4572)
bark (BTO:0001301) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
(+)-12a-Hydroxypachyrrhizone (CHEBI:191831) is a rotenones (CHEBI:72581)
IUPAC Name 
1-hydroxy-16-methoxy-5,7,11,14,18-pentaoxahexacyclo[11.11.0.02,10.04,8.015,23.017,21]tetracosa-2,4(8),9,15(23),16,19,21-heptaen-24-one
Manual XrefsDatabases
HMDB0030774HMDB
4476915ChemSpider
LMPK12060037LIPID MAPS