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CHEBI:70685 - Rotungenic acid
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ChEBI Name
Rotungenic acid
ChEBI ID
CHEBI:70685
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-
18-
9-
14-
30(24(33)
34)
16-
15-
27(4)
19(23(30)
29(18,6)
35)
7-
8-
21-
25(2)
12-
11-
22(32)
26(3,17-
31)
20(25)
10-
13-
28(21,27)
5/h7,18,20-
23,31-
32,35H,8-
17H2,1-
6H3,(H,33,34)
/t18-
,20-
,21-
,22+,23-
,25+,26-
,27-
,28-
,29-
,30+/m1/s1
InChIKey
YLHQFGOOMKJFLP-VNUPIYKRSA-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)
CC[C@H]
(O)
[C@]
2(C)
CO
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
Rotungenic acid (
CHEBI:70685
)
has role
metabolite (
CHEBI:25212
)
Rotungenic acid (
CHEBI:70685
)
is a
triterpenoid (
CHEBI:36615
)
Synonym
Source
(3beta)-3,19,24-Trihydroxyurs-12-en-28-oic acid
ChEBI
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:steroid(CHEBI:35341); ISA:tertiary alcohol(CHEBI:26878); ISA:secondary alcohol(CHEBI:35681); ISA:organic hydroxy compound(CHEBI:33822); ISA:monocarboxylic acid(CHEBI:25384); ISA:carboxylic acid(CHEBI:33575); ISA:organonitrogen compound(CHEBI:35352); ISA:primary alcohol(CHEBI:15734); ISA:carbonyl compound(CHEBI:36586);