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ChEBI
> Main
CHEBI:3863 - Convallamarogenin
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ChEBI Ontology
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ChEBI Name
Convallamarogenin
ChEBI ID
CHEBI:3863
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)
13-
21-
19-
6-
5-
17-
11-
18(28)
12-
23(29)
26(17,4)
20(19)
8-
9-
25(21,24)
3/h16-
24,28-
29H,1,5-
14H2,2-
4H3/t16-
,17+,18+,19+,20-
,21-
,22-
,23+,24-
,25-
,26-
,27+/m0/s1
InChIKey
XLHFBXMTUNORSV-ZENYHQJXSA-N
SMILES
C[C@H]
1[C@H]
2[C@H]
(C[C@H]
3[C@@H]
4CC[C@@H]
5C[C@@H]
(O)
C[C@@H]
(O)
[C@]
5(C)
[C@H]
4CC[C@]
23C)
O[C@]
11CCC(=C)
CO1
ChEBI Ontology
Outgoing
Convallamarogenin (
CHEBI:3863
)
is a
triterpenoid (
CHEBI:36615
)
Synonym
Source
Convallamarogenin
KEGG COMPOUND
Manual Xrefs
Databases
C00003568
KNApSAcK
C08891
KEGG COMPOUND
View more database links
Registry Number
Type
Source
16683-27-5
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014