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> Main
CHEBI:69744 - lupeol acetate
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ChEBI Ontology
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ChEBI Name
lupeol acetate
ChEBI ID
CHEBI:69744
Stars
This entity has been manually annotated by a third party.
Secondary ChEBI IDs
CHEBI:6571
Supplier Information
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Formulae
C32H52O2
C32H52O2
Net Charge
0
Average Mass
468.75410
Monoisotopic Mass
468.39673
InChI
InChI=1S/C32H52O2/c1-
20(2)
22-
12-
15-
29(6)
18-
19-
31(8)
23(27(22)
29)
10-
11-
25-
30(7)
16-
14-
26(34-
21(3)
33)
28(4,5)
24(30)
13-
17-
32(25,31)
9/h22-
27H,1,10-
19H2,2-
9H3/t22-
,23+,24-
,25+,26-
,27+,29+,30-
,31+,32+/m0/s1
InChIKey
ODSSDTBFHAYYMD-YOJQYFTNSA-N
SMILES
[H]
[C@]
12CC[C@]
3([H]
)
[C@@]
4(C)
CC[C@H]
(OC(C)
=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
Ficus mucuso
(NCBI:txid309328)
Found in fruit
(BTO:0000486)
. Methanolic extract of air-dried and powdered figs(fruits) 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
lupeol acetate (
CHEBI:69744
)
has role
metabolite (
CHEBI:25212
)
lupeol acetate (
CHEBI:69744
)
is a
organic molecular entity (
CHEBI:50860
)
Synonyms
Sources
(3beta)-Lup-20(29)-en-3-yl acetate
ChEBI
3-Acetyllupeol
KEGG COMPOUND
Lupeol acetate
KEGG COMPOUND
Manual Xrefs
Databases
0001617681
ChemIDplus
C00003750
KNApSAcK
C08630
KEGG COMPOUND
View more database links
Registry Number
Type
Source
1617-68-1
CAS Registry Number
KEGG COMPOUND
Citation
Type
Source
21619045
PubMed citation
Europe PMC
Last Modified
28 July 2014