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CHEBI:69580 - 23-Hydroxybetulinic acid
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ChEBI Name
23-Hydroxybetulinic acid
ChEBI ID
CHEBI:69580
Definition
A natural product found in
Paeonia rockii
subspecies
rockii
.
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(2)
19-
9-
14-
30(25(33)
34)
16-
15-
28(5)
20(24(19)
30)
7-
8-
22-
26(3)
12-
11-
23(32)
27(4,17-
31)
21(26)
10-
13-
29(22,28)
6/h19-
24,31-
32H,1,7-
17H2,2-
6H3,(H,33,34)
/t19-
,20+,21+,22+,23-
,24+,26-
,27-
,28+,29+,30-
/m0/s1
InChIKey
HXWLKAXCQLXHML-WGOZWDAUSA-N
SMILES
[H]
[C@]
12CC[C@]
3([H]
)
[C@@]
4(C)
CC[C@H]
(O)
[C@@]
(C)
(CO)
[C@]
4([H]
)
CC[C@@]
3(C)
[C@]
1(C)
CC[C@]
1(CC[C@@H]
(C(C)
=C)
[C@]
21[H]
)
C(O)
=O
Metabolite of Species
Details
Paeonia rockii
subsp.
rockii
(NCBI:txid459179)
Found in root
(BTO:0001188)
. Isolated from chloroform soluble extract of air-dried and powdered roots 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
23-Hydroxybetulinic acid (
CHEBI:69580
)
has parent hydride
lupane (
CHEBI:36485
)
23-Hydroxybetulinic acid (
CHEBI:69580
)
has role
metabolite (
CHEBI:25212
)
23-Hydroxybetulinic acid (
CHEBI:69580
)
is a
triterpenoid (
CHEBI:36615
)
Synonyms
Sources
(3beta)-3,23-dihydroxylup-20(29)-en-28-oic acid
ChEBI
Anemosapogenin
ChEBI
Citation
Type
Source
21954959
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:hydroxy steroid(CHEBI:35350); ISA:secondary alcohol(CHEBI:35681); ISA:polyol(CHEBI:26191); ISA:organic hydroxy compound(CHEBI:33822); ISA:carboxylic acid(CHEBI:33575); ISA:monocarboxylic acid(CHEBI:25384); ISA:organonitrogen compound(CHEBI:35352); ISA:primary alcohol(CHEBI:15734); ISA:carbonyl compound(CHEBI:36586);