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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:5633 - Hecogenin
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ChEBI Ontology
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ChEBI Name
Hecogenin
ChEBI ID
CHEBI:5633
Stars
This entity has been manually annotated by a third party.
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Formula
C27H42O4
Net Charge
0
Average Mass
430.621
Monoisotopic Mass
430.30831
InChI
InChI=1S/C27H42O4/c1-
15-
7-
10-
27(30-
14-
15)
16(2)
24-
22(31-
27)
12-
21-
19-
6-
5-
17-
11-
18(28)
8-
9-
25(17,3)
20(19)
13-
23(29)
26(21,24)
4/h15-
22,24,28H,5-
14H2,1-
4H3/t15-
,16+,17+,18+,19-
,20+,21+,22+,24+,25+,26-
,27-
/m1/s1
InChIKey
QOLRLLFJMZLYQJ-LOBDNJQFSA-N
SMILES
C[C@H]
1[C@H]
2[C@H]
(C[C@H]
3[C@@H]
4CC[C@H]
5C[C@@H]
(O)
CC[C@]
5(C)
[C@H]
4CC(=O)
[C@]
23C)
O[C@]
11CC[C@@H]
(C)
CO1
ChEBI Ontology
Outgoing
Hecogenin (
CHEBI:5633
)
is a
triterpenoid (
CHEBI:36615
)
Synonym
Source
Hecogenin
KEGG COMPOUND
Manual Xrefs
Databases
C00003580
KNApSAcK
C08902
KEGG COMPOUND
View more database links
Registry Number
Type
Source
467-55-0
CAS Registry Number
KEGG COMPOUND
Last Modified
24 February 2022