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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:16404 - 3-oxoglycyrrhetinic acid
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ChEBI Name
3-oxoglycyrrhetinic acid
ChEBI ID
CHEBI:16404
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:1638, CHEBI:11874, CHEBI:20170
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Formula
C30H44O4
Net Charge
0
Average Mass
468.66796
Monoisotopic Mass
468.32396
InChI
InChI=1S/C30H44O4/c1-
25(2)
21-
8-
11-
30(7)
23(28(21,5)
10-
9-
22(25)
32)
20(31)
16-
18-
19-
17-
27(4,24(33)
34)
13-
12-
26(19,3)
14-
15-
29(18,30)
6/h16,19,21,23H,8-
15,17H2,1-
7H3,(H,33,34)
/t19-
,21-
,23+,26+,27-
,28-
,29+,30+/m0/s1
InChIKey
QGWDYPREORDRIT-LPXJIFNVSA-N
SMILES
[H]
[C@@]
12C[C@]
(C)
(CC[C@]
1(C)
CC[C@]
1(C)
C2=CC(=O)
[C@]
2([H]
)
[C@@]
3(C)
CCC(=O)
C(C)
(C)
[C@]
3([H]
)
CC[C@@]
12C)
C(O)
=O
ChEBI Ontology
Outgoing
3-oxoglycyrrhetinic acid (
CHEBI:16404
)
has functional parent
glycyrrhetinic acid (
CHEBI:30853
)
3-oxoglycyrrhetinic acid (
CHEBI:16404
)
is a
pentacyclic triterpenoid (
CHEBI:25872
)
3-oxoglycyrrhetinic acid (
CHEBI:16404
)
is conjugate acid of
3-oxoglycyrrhetinate (
CHEBI:57760
)
Incoming
3-oxoglycyrrhetinate (
CHEBI:57760
)
is conjugate base of
3-oxoglycyrrhetinic acid (
CHEBI:16404
)
IUPAC Name
3,11-dioxoolean-12-en-30-oic acid
Synonym
Source
3-Oxoglycyrrhetinate
KEGG COMPOUND
Manual Xref
Database
C02943
KEGG COMPOUND
View more database links
Last Modified
23 December 2018