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CHEBI:67718 - Kibalaurifenone
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ChEBI Ontology
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ChEBI Name
Kibalaurifenone
ChEBI ID
CHEBI:67718
Definition
A natural product found in
Kibatalia laurifolia
.
Stars
This entity has been manually annotated by a third party.
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Formula
C21H26O3
Net Charge
0
Average Mass
326.42930
Monoisotopic Mass
326.18819
InChI
InChI=1S/C21H26O3/c1-
12-
14-
6-
7-
16-
18-
15(8-
10-
21(14,16)
19(23)
24-
12)
20(2)
9-
4-
3-
5-
13(20)
11-
17(18)
22/h3,5,11-
12,14-
16,18H,4,6-
10H2,1-
2H3/t12-
,14+,15-
,16-
,18+,20-
,21-
/m0/s1
InChIKey
FVIRPNCHURITSK-AUEZAFRDSA-N
SMILES
[H][C@]12CC[C@@]3([H])[C@]4([H])C(=O)C=C5C=CCC[C@]5(C)[C@@]4([H])CC[C@]13C(=O)O[C@H]2C
Metabolite of Species
Details
Kibatalia laurifolia
(IPNI:79456-1)
Found in leaf
(BTO:0000713)
. Dried, ground leaves were alkalized with NH4OH & extracted successively with n-hexane, CH2Cl2 & MeOH 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
Kibalaurifenone (
CHEBI:67718
)
has role
metabolite (
CHEBI:25212
)
Kibalaurifenone (
CHEBI:67718
)
is a
steroid lactone (
CHEBI:26766
)
Synonym
Source
pregn-3,5-diene-7-one-18,20-lactone
ChEBI
Citation
Type
Source
21443172
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:7-oxo steroid(CHEBI:47789); ISA:gamma-lactone(CHEBI:37581); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:oxolanes(CHEBI:26912); ISA:ketone(CHEBI:17087); ISA:carboxylic ester(CHEBI:33308); ISA:ether(CHEBI:25698); ISA:monocarboxylic acid(CHEBI:25384);