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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:67823 - lupenone
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ChEBI Ontology
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ChEBI Name
lupenone
ChEBI ID
CHEBI:67823
Definition
A natural product found in
Cupania cinerea
.
Stars
This entity has been manually annotated by a third party.
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Formula
C30H48O
Net Charge
0
Average Mass
424.70150
Monoisotopic Mass
424.37052
InChI
InChI=1S/C30H48O/c1-
19(2)
20-
11-
14-
27(5)
17-
18-
29(7)
21(25(20)
27)
9-
10-
23-
28(6)
15-
13-
24(31)
26(3,4)
22(28)
12-
16-
30(23,29)
8/h20-
23,25H,1,9-
18H2,2-
8H3/t20-
,21+,22-
,23+,25+,27+,28-
,29+,30+/m0/s1
InChIKey
GRBHNQFQFHLCHO-BHMAJAPKSA-N
SMILES
[H]
[C@]
12CC[C@]
3([H]
)
[C@@]
4(C)
CCC(=O)
C(C)
(C)
[C@]
4([H]
)
CC[C@@]
3(C)
[C@]
1(C)
CC[C@@]
1(C)
CC[C@@H]
(C(C)
=C)
[C@]
21[H]
Metabolite of Species
Details
Cupania cinerea
(NCBI:txid298314)
Found in bark
(BTO:0001301)
. Crude n-hexane extract of dried and powdered bark 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
lupenone (
CHEBI:67823
)
has parent hydride
lupane (
CHEBI:36485
)
lupenone (
CHEBI:67823
)
has role
metabolite (
CHEBI:25212
)
lupenone (
CHEBI:67823
)
is a
triterpenoid (
CHEBI:36615
)
Synonyms
Sources
Lup-20(29)-en-3-one
ChEBI
lupeone
ChEBI
Manual Xref
Database
C16990
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
1617-70-5
CAS Registry Number
KEGG COMPOUND
1617-70-5
CAS Registry Number
ChemIDplus
Citation
Type
Source
21438586
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:steroid(CHEBI:35341); ISA:cyclohexanones(CHEBI:23482);