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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:68051 - 12a-hydroxyrotenone
Main
ChEBI Ontology
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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
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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
Type
Source
21452840
PubMed citation
Europe PMC
Last Modified
28 July 2014