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CHEBI:66769 - Polpunonic acid
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ChEBI Name
Polpunonic acid
ChEBI ID
CHEBI:66769
Definition
A natural product found in
Maytenus diversifolia
and
Gymnosporia emarginata
.
Stars
This entity has been manually annotated by a third party.
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Formula
C30H48O3
Net Charge
0
Average Mass
456.70030
Monoisotopic Mass
456.36035
InChI
InChI=1S/C30H48O3/c1-
19-
20(31)
8-
9-
21-
27(19,4)
11-
10-
22-
28(21,5)
15-
17-
30(7)
23-
18-
26(3,24(32)
33)
13-
12-
25(23,2)
14-
16-
29(22,30)
6/h19,21-
23H,8-
18H2,1-
7H3,(H,32,33)
/t19-
,21+,22-
,23+,25+,26+,27+,28-
,29+,30-
/m0/s1
InChIKey
WHWHDGKOSUKYOV-GDXNDQEESA-N
SMILES
[H]
[C@@]
12CCC(=O)
[C@H]
(C)
[C@@]
1(C)
CC[C@@]
1([H]
)
[C@@]
2(C)
CC[C@@]
2(C)
[C@]
3([H]
)
C[C@@]
(C)
(CC[C@]
3(C)
CC[C@]
12C)
C(O)
=O
Metabolite of Species
Details
Gymnosporia emarginata
(IPNI:161339-1)
See:
DOI
Maytenus diversifolia
(NCBI:txid490239)
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
Polpunonic acid (
CHEBI:66769
)
has role
metabolite (
CHEBI:25212
)
Polpunonic acid (
CHEBI:66769
)
is a
triterpenoid (
CHEBI:36615
)
Synonyms
Sources
3-Oxofriedelan-20alpha-29-oic acid
ChEBI
Maytenonic acid
ChEBI
Registry Number
Type
Source
33600-93-0
CAS Registry Number
ChemIDplus
Citation
Type
Source
2095372
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:cyclohexanones(CHEBI:23482); ISA:monocarboxylic acid(CHEBI:25384); ISA:carboxylic acid(CHEBI:33575); ISA:organonitrogen compound(CHEBI:35352);