Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:4037 - Cymarin
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
Cymarin
ChEBI ID
CHEBI:4037
Stars
This entity has been manually annotated by a third party.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C30H44O9
Net Charge
0
Average Mass
548.666
Monoisotopic Mass
548.29853
InChI
InChI=1S/C30H44O9/c1-
17-
26(33)
23(36-
3)
13-
25(38-
17)
39-
19-
4-
9-
28(16-
31)
21-
5-
8-
27(2)
20(18-
12-
24(32)
37-
15-
18)
7-
11-
30(27,35)
22(21)
6-
10-
29(28,34)
14-
19/h12,16-
17,19-
23,25-
26,33-
35H,4-
11,13-
15H2,1-
3H3/t17-
,19+,20-
,21+,22-
,23+,25+,26-
,27-
,28+,29+,30+/m1/s1
InChIKey
XQCGNURMLWFQJR-ZNDDOCHDSA-N
SMILES
CO[C@H]
1C[C@H]
(O[C@H]
2CC[C@]
3(C=O)
[C@H]
4CC[C@]
5(C)
[C@H]
(CC[C@]
5(O)
[C@@H]
4CC[C@]
3(O)
C2)
C2=CC(=O)
OC2)
O[C@H]
(C)
[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
Cymarin (
CHEBI:4037
)
is a
cardenolide glycoside (
CHEBI:38092
)
Synonyms
Sources
Cymarin
KEGG COMPOUND
Strophanthidin 3-O-beta-D-cymaroside
KEGG COMPOUND
Manual Xrefs
Databases
4408
DrugCentral
C00003613
KNApSAcK
C08859
KEGG COMPOUND
View more database links
Registry Number
Type
Source
508-77-0
CAS Registry Number
KEGG COMPOUND
Last Modified
22 February 2017