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CHEBI:70682 - Tormentic acid
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ChEBI Name
Tormentic acid
ChEBI ID
CHEBI:70682
Definition
A natural product found in
Euscaphis japonica
.
Stars
This entity has been manually annotated by a third party.
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Formula
C30H48O5
Net Charge
0
Average Mass
488.69910
Monoisotopic Mass
488.35017
InChI
InChI=1S/C30H48O5/c1-
17-
10-
13-
30(24(33)
34)
15-
14-
27(5)
18(22(30)
29(17,7)
35)
8-
9-
21-
26(4)
16-
19(31)
23(32)
25(2,3)
20(26)
11-
12-
28(21,27)
6/h8,17,19-
23,31-
32,35H,9-
16H2,1-
7H3,(H,33,34)
/t17-
,19-
,20+,21-
,22-
,23+,26+,27-
,28-
,29-
,30+/m1/s1
InChIKey
OXVUXGFZHDKYLS-BLIWDXROSA-N
SMILES
[H]
[C@@]
12CC[C@]
3(C)
[C@]
([H]
)
(CC=C4[C@]
5([H]
)
[C@]
(C)
(O)
[C@H]
(C)
CC[C@@]
5(CC[C@@]
34C)
C(O)
=O)
[C@@]
1(C)
C[C@@H]
(O)
[C@H]
(O)
C2(C)
C
Metabolite of Species
Details
Euscaphis japonica
(NCBI:txid210332)
Found in twig
(BTO:0001411)
. 95% ethanolic extract of twigs See:
DOI
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
Tormentic acid (
CHEBI:70682
)
has role
metabolite (
CHEBI:25212
)
Tormentic acid (
CHEBI:70682
)
is a
triterpenoid (
CHEBI:36615
)
Synonym
Source
(2alpha,3beta)-2,3,19-Trihydroxyurs-12-en-28-oic acid
ChEBI
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:tertiary alcohol(CHEBI:26878); ISA:organic hydroxy compound(CHEBI:33822); ISA:polyol(CHEBI:26191); ISA:secondary alcohol(CHEBI:35681); ISA:carboxylic acid(CHEBI:33575); ISA:organonitrogen compound(CHEBI:35352); ISA:monocarboxylic acid(CHEBI:25384); ISA:carbonyl compound(CHEBI:36586);