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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:81306 - Acetoxolone
Main
ChEBI Ontology
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ChEBI Name
Acetoxolone
ChEBI ID
CHEBI:81306
Stars
This entity has been manually annotated by a third party.
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Formula
C32H48O5
Net Charge
0
Average Mass
512.72050
Monoisotopic Mass
512.35017
InChI
InChI=1S/C32H48O5/c1-
19(33)
37-
24-
10-
11-
30(6)
23(27(24,2)
3)
9-
12-
32(8)
25(30)
22(34)
17-
20-
21-
18-
29(5,26(35)
36)
14-
13-
28(21,4)
15-
16-
31(20,32)
7/h17,21,23-
25H,9-
16,18H2,1-
8H3,(H,35,36)
/t21-
,23-
,24-
,25+,28+,29-
,30-
,31+,32+/m0/s1
InChIKey
FTQDJVZNPJRVPG-XWEVEMRCSA-N
SMILES
CC(=O)
O[C@H]
1CC[C@@]
2(C)
[C@@H]
(CC[C@]
3(C)
[C@@H]
2C(=O)
C=C2[C@@H]
4C[C@]
(C)
(CC[C@]
4(C)
CC[C@@]
32C)
C(O)
=O)
C1(C)
C
ChEBI Ontology
Outgoing
Acetoxolone (
CHEBI:81306
)
is a
triterpenoid (
CHEBI:36615
)
Synonyms
Sources
acetylglycyrrhetic acid
DrugCentral
Acetylglycyrrhetinic acid
KEGG COMPOUND
glycyrrhetic acid acetate
DrugCentral
glycyrrhetinic acid acetate
DrugCentral
glycyrrhetinyl acetate
DrugCentral
Manual Xrefs
Databases
62
DrugCentral
C17734
KEGG COMPOUND
View more database links
Registry Number
Type
Source
6277-14-1
CAS Registry Number
KEGG COMPOUND
Last Modified
22 February 2017