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CHEBI:68051 - 12a-hydroxyrotenone

ChEBI IDCHEBI:68051
ChEBI Name12a-hydroxyrotenone
Stars
Secondary ChEBI IDCHEBI:747
Last Modified28 July 2014
DownloadsMolfile
FormulaC23H22O7
Net Charge0
Average Mass410.422
Monoisotopic Mass410.13655
SMILES[H][C@@]12COc3cc(OC)c(OC)cc3[C@]1(O)C(=O)c1ccc3c(c1O2)C[C@H](C(=C)C)O3
InChIInChI=1S/C23H22O7/c1-11(2)16-7-13-15(29-16)6-5-12-21(13)30-20-10-28-17-9-19(27-4)18(26-3)8-14(17)23(20,25)22(12)24/h5-6,8-9,16,20,25H,1,7,10H2,2-4H3/t16-,20-,23-/m1/s1
InChIKeyJFVKWCYZKMUTLH-AYPBNUJASA-N
Species of MetaboliteComponentSourceComments
Antheroporum pierrei (IPNI:474590-1)
leaf (BTO:0000713) PubMed (21452840) Dried leaves and twigs were extracted with CH2Cl2/MeOH (1:1)
twig (BTO:0001411) PubMed (21452840) Dried leaves and twigs were extracted with CH2Cl2/MeOH (1:1)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
12a-hydroxyrotenone (CHEBI:68051) has role metabolite (CHEBI:25212)
12a-hydroxyrotenone (CHEBI:68051) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
12a-HydroxyrotenoneKEGG COMPOUND
(2R,6aR,12aR)-6a-hydroxy-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6aH)-oneChEBI
Rotenalone IChEBI
Manual XrefsDatabases
C10464KEGG COMPOUND
C00002537KNApSAcK
HMDB0034145HMDB
Registry NumbersSources
CAS:509-96-6KEGG COMPOUND
CAS:509-96-6ChemIDplus
Citations