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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:66772 - Pomolic acid
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ChEBI Ontology
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ChEBI Name
Pomolic acid
ChEBI ID
CHEBI:66772
Definition
A natural product found particularly in
Rosa woodsii
and
Euscaphis japonica
.
Stars
This entity has been manually annotated by a third party.
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Formula
C30H48O4
Net Charge
0
Average Mass
472.69970
Monoisotopic Mass
472.35526
InChI
InChI=1S/C30H48O4/c1-
18-
10-
15-
30(24(32)
33)
17-
16-
27(5)
19(23(30)
29(18,7)
34)
8-
9-
21-
26(4)
13-
12-
22(31)
25(2,3)
20(26)
11-
14-
28(21,27)
6/h8,18,20-
23,31,34H,9-
17H2,1-
7H3,(H,32,33)
/t18-
,20+,21-
,22+,23-
,26+,27-
,28-
,29-
,30+/m1/s1
InChIKey
ZZTYPLSBNNGEIS-OPAXANQDSA-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)
C2(C)
C
Metabolite of Species
Details
Cecropia pachystachya
(IPNI:50908-2)
Found in leaf
(BTO:0000713)
. See:
PubMed
Hyptis capitata
(NCBI:txid204124)
Found in whole plant
(BTO:0001461)
. See:
PubMed
Euscaphis japonica
(NCBI:txid210332)
Found in pericarp
(BTO:0001017)
. Pericarps of capsules See:
PubMed
Euscaphis japonica
(NCBI:txid210332)
Found in twig
(BTO:0001411)
. 95% ethanolic extract of twigs See:
DOI
Rosa woodsii
(NCBI:txid32246)
Found in leaf
(BTO:0000713)
. See:
PubMed
Weigela subsessilis
(NCBI:txid79620)
Found in leaf
(BTO:0000713)
. See:
PubMed
Weigela subsessilis
(NCBI:txid79620)
Found in stem
(BTO:0001300)
. 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
Pomolic acid (
CHEBI:66772
)
has role
metabolite (
CHEBI:25212
)
Pomolic acid (
CHEBI:66772
)
is a
triterpenoid (
CHEBI:36615
)
Synonyms
Sources
(3beta)-3,19-Dihydroxyurs-12-en-28-oic acid
ChEBI
3-beta,19alpha-Dihydroxy-urs-12-en-28-oic acid
ChEBI
Citations
Types
Sources
16595930
PubMed citation
Europe PMC
18260049
PubMed citation
Europe PMC
4421158
PubMed citation
Europe PMC
9748372
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:tertiary alcohol(CHEBI:26878); ISA:organic hydroxy compound(CHEBI:33822); ISA:secondary alcohol(CHEBI:35681); ISA:monocarboxylic acid(CHEBI:25384); ISA:organonitrogen compound(CHEBI:35352); ISA:carboxylic acid(CHEBI:33575); ISA:carbonyl compound(CHEBI:36586);