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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:10274 - alpha-Elemolic acid
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ChEBI Ontology
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ChEBI Name
alpha-Elemolic acid
ChEBI ID
CHEBI:10274
Stars
This entity has been manually annotated by a third party.
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Formula
C30H48O3
Net Charge
0
Average Mass
456.701
Monoisotopic Mass
456.36035
InChI
InChI=1S/C30H48O3/c1-
19(2)
9-
8-
10-
20(26(32)
33)
21-
13-
17-
30(7)
23-
11-
12-
24-
27(3,4)
25(31)
15-
16-
28(24,5)
22(23)
14-
18-
29(21,30)
6/h9,20-
21,24-
25,31H,8,10-
18H2,1-
7H3,(H,32,33)
/t20-
,21-
,24-
,25+,28+,29-
,30+/m0/s1
InChIKey
NBSBUIQBEPROBM-IMJUUJEHSA-N
SMILES
CC(C)=CCC[C@@H]([C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3)C(O)=O
ChEBI Ontology
Outgoing
alpha-Elemolic acid (
CHEBI:10274
)
is a
triterpenoid (
CHEBI:36615
)
Synonym
Source
alpha-Elemolic acid
KEGG COMPOUND
Manual Xrefs
Databases
C00003744
KNApSAcK
C08623
KEGG COMPOUND
HMDB0034964
HMDB
View more database links
Registry Number
Type
Source
28282-27-1
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014