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CHEBI:71576 - 30-hydroxy-11-oxo-β-amyrin
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ChEBI Ontology
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ChEBI Name
30-hydroxy-11-oxo-β-amyrin
ChEBI ID
CHEBI:71576
ChEBI ASCII Name
30-hydroxy-11-oxo-beta-amyrin
Definition
A pentacyclic triterpenoid that is β-amyrin carrying an additional hydroxy substituent at position 30 as well as an oxo group at position 11.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
KAX
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Formula
C30H48O3
Net Charge
0
Average Mass
456.70030
Monoisotopic Mass
456.36035
InChI
InChI=1S/C30H48O3/c1-
25(2)
22-
8-
11-
30(7)
24(28(22,5)
10-
9-
23(25)
33)
21(32)
16-
19-
20-
17-
26(3,18-
31)
12-
13-
27(20,4)
14-
15-
29(19,30)
6/h16,20,22-
24,31,33H,8-
15,17-
18H2,1-
7H3/t20-
,22-
,23-
,24+,26-
,27+,28-
,29+,30+/m0/s1
InChIKey
JCGXIYQLRYPHDG-DQOTWGJISA-N
SMILES
[H]
[C@@]
12C[C@@]
(C)
(CO)
CC[C@]
1(C)
CC[C@]
1(C)
C2=CC(=O)
[C@]
2([H]
)
[C@@]
3(C)
CC[C@H]
(O)
C(C)
(C)
[C@]
3([H]
)
CC[C@@]
12C
ChEBI Ontology
Outgoing
30-hydroxy-11-oxo-β-amyrin (
CHEBI:71576
)
has functional parent
β-amyrin (
CHEBI:10352
)
30-hydroxy-11-oxo-β-amyrin (
CHEBI:71576
)
is a
cyclic terpene ketone (
CHEBI:36130
)
30-hydroxy-11-oxo-β-amyrin (
CHEBI:71576
)
is a
pentacyclic triterpenoid (
CHEBI:25872
)
IUPAC Name
3β,30-dihydroxyolean-12-en-11-one
Synonyms
Sources
(3β)-3,30-dihydroxyolean-12-en-11-one
ChEBI
30-hydroxy-11-oxo-β-amyrin
UniProt
glycyrrhetol
ChEBI
olean-12-en-11-oxo-3β,30-diol
ChEBI
Manual Xref
Database
CPD-13670
MetaCyc
View more database links
Registry Number
Type
Source
3123280
Reaxys Registry Number
Reaxys
Citations
Types
Sources
17226461
PubMed citation
Europe PMC
22128119
PubMed citation
SUBMITTER
Last Modified
17 January 2013