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> Main
CHEBI:68104 - 3-alpha-O-acetyl-alpha-boswellic acid
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ChEBI Name
3-alpha-O-acetyl-alpha-boswellic acid
ChEBI ID
CHEBI:68104
Definition
A natural product found in
Radermachera boniana
.
Stars
This entity has been manually annotated by a third party.
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Formula
C32H50O4
Net Charge
0
Average Mass
498.73700
Monoisotopic Mass
498.37091
InChI
InChI=1S/C32H50O4/c1-
20(33)
36-
25-
12-
13-
29(5)
23-
10-
9-
21-
22-
19-
27(2,3)
15-
16-
28(22,4)
17-
18-
30(21,6)
31(23,7)
14-
11-
24(29)
32(25,8)
26(34)
35/h9,22-
25H,10-
19H2,1-
8H3,(H,34,35)
/t22-
,23+,24+,25+,28+,29+,30+,31+,32+/m0/s1
InChIKey
IAWGZKRQDHPFCZ-OBHGTAHRSA-N
SMILES
[H]
[C@@]
12CC(C)
(C)
CC[C@]
1(C)
CC[C@]
1(C)
C2=CC[C@]
2([H]
)
[C@@]
3(C)
CC[C@@H]
(OC(C)
=O)
[C@]
(C)
(C(O)
=O)
[C@]
3([H]
)
CC[C@@]
12C
Metabolite of Species
Details
Radermachera boniana
(IPNI:110489-1)
Found in leaf
(BTO:0000713)
. Ethylacetate extract of dried and ground mixture of twigs and leaves See:
PubMed
Radermachera boniana
(IPNI:110489-1)
Found in twig
(BTO:0001411)
. Ethylacetate extract of dried and ground mixture of twigs and leaves 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
3-alpha-O-acetyl-alpha-boswellic acid (
CHEBI:68104
)
has role
metabolite (
CHEBI:25212
)
3-alpha-O-acetyl-alpha-boswellic acid (
CHEBI:68104
)
is a
triterpenoid (
CHEBI:36615
)
Synonym
Source
(3alpha)-3-Acetoxyolean-12-en-24-oic acid
ChEBI
Citation
Type
Source
21469696
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:hydroxy steroid(CHEBI:35350); ISA:dicarboxylic acid(CHEBI:35692); ISA:carboxylic ester(CHEBI:33308); ISA:carboxylic acid(CHEBI:33575); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352); ISA:carbonyl compound(CHEBI:36586);