CHEBI:68051 - 12a-hydroxyrotenone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 12a-hydroxyrotenone
ChEBI ID CHEBI:68051
Stars This entity has been manually annotated by a third party.
Secondary ChEBI IDs CHEBI:747
Supplier Information
Download Molfile XML SDF
Formulae C23H22O7
C23H22O7
Net Charge 0
Average Mass 410.41660
Monoisotopic Mass 410.13655
InChI InChI=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
InChIKey JFVKWCYZKMUTLH-AYPBNUJASA-N
SMILES [H][C@@]12COc3cc(OC)c(OC)cc3[C@]1(O)C(=O)c1ccc3O[C@H](Cc3c1O2)C(C)=C
Metabolite of Species Details
Antheroporum pierrei (IPNI:474590-1) Found in leaf (BTO:0000713). Dried leaves and twigs were extracted with CH2Cl2/MeOH (1:1) See: PubMed
Antheroporum pierrei (IPNI:474590-1) Found in twig (BTO:0001411). Dried leaves and twigs were extracted with CH2Cl2/MeOH (1:1) See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 12a-hydroxyrotenone (CHEBI:68051) has role metabolite (CHEBI:25212)
12a-hydroxyrotenone (CHEBI:68051) is a organic molecular entity (CHEBI:50860)
Synonyms Sources
(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)-one ChEBI
12a-Hydroxyrotenone KEGG COMPOUND
Rotenalone I ChEBI
Manual Xrefs Databases
C00002537 KNApSAcK
C10464 KEGG COMPOUND
HMDB0034145 HMDB
View more database links
Registry Numbers Types Sources
509-96-6 CAS Registry Number KEGG COMPOUND
509-96-6 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
21452840 PubMed citation Europe PMC
Last Modified
28 July 2014