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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:3115 - Bipindoside
Main
ChEBI Ontology
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ChEBI Name
Bipindoside
ChEBI ID
CHEBI:3115
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C29H44O10
Net Charge
0
Average Mass
552.661
Monoisotopic Mass
552.29345
InChI
InChI=1S/C29H44O10/c1-
14-
22(32)
23(33)
24(34)
25(38-
14)
39-
16-
4-
7-
26(2)
21-
18(5-
8-
28(26,35)
11-
16)
29(36)
9-
6-
17(15-
10-
20(31)
37-
13-
15)
27(29,3)
12-
19(21)
30/h10,14,16-
19,21-
25,30,32-
36H,4-
9,11-
13H2,1-
3H3/t14-
,16-
,17+,18+,19+,21+,22+,23+,24+,25-
,26+,27+,28-
,29-
/m0/s1
InChIKey
WRORFDCUNLGVJF-NKSXRMIXSA-N
SMILES
C[C@@H]
1O[C@@H]
(O[C@H]
2CC[C@]
3(C)
[C@H]
4[C@H]
(O)
C[C@]
5(C)
[C@H]
(CC[C@]
5(O)
[C@@H]
4CC[C@]
3(O)
C2)
C2=CC(=O)
OC2)
[C@H]
(O)
[C@H]
(O)
[C@@H]
1O
Roles Classification
Application
(s):
cardioprotective agent
Any protective agent that is able to prevent damage to the heart.
(via
cardiac glycoside
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Bipindoside (
CHEBI:3115
)
is a
cardenolide glycoside (
CHEBI:38092
)
Synonym
Source
Bipindoside
KEGG COMPOUND
Manual Xrefs
Databases
C00003605
KNApSAcK
C08851
KEGG COMPOUND
View more database links
Registry Number
Type
Source
6246-79-3
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014