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> Main
CHEBI:67824 - betulone
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ChEBI Ontology
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ChEBI Name
betulone
ChEBI ID
CHEBI:67824
Definition
A natural product found in
Cupania cinerea
.
Stars
This entity has been manually annotated by a third party.
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Formula
C30H48O2
Net Charge
0
Average Mass
440.70090
Monoisotopic Mass
440.36543
InChI
InChI=1S/C30H48O2/c1-
19(2)
20-
10-
15-
30(18-
31)
17-
16-
28(6)
21(25(20)
30)
8-
9-
23-
27(5)
13-
12-
24(32)
26(3,4)
22(27)
11-
14-
29(23,28)
7/h20-
23,25,31H,1,8-
18H2,2-
7H3/t20-
,21+,22-
,23+,25+,27-
,28+,29+,30+/m0/s1
InChIKey
JYDNKGUBLIKNAM-CNRMHUMKSA-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(CO)
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
betulone (
CHEBI:67824
)
has parent hydride
lupane (
CHEBI:36485
)
betulone (
CHEBI:67824
)
has role
metabolite (
CHEBI:25212
)
betulone (
CHEBI:67824
)
is a
triterpenoid (
CHEBI:36615
)
Citation
Type
Source
21438586
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:hydroxy steroid(CHEBI:35350); ISA:cyclohexanones(CHEBI:23482); ISA:primary alcohol(CHEBI:15734);