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CHEBI:4830 - Eriocarpin

Default Structure
ChEBI IDCHEBI:4830
ChEBI NameEriocarpin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC29H38O11
Net Charge0
Average Mass562.612
Monoisotopic Mass562.24141
SMILES[H][C@@]12C[C@@H]3O[C@@]34[C@@]3(O)CC[C@]([H])(C5=CC(=O)OC5)[C@@]3(C)C(=O)[C@@H](O)[C@]4([H])[C@@]1(C)C[C@@]1([H])O[C@@]3(O)[C@H](O)C[C@@H](C)O[C@@]3([H])O[C@]1([H])C2
InChIInChI=1S/C29H38O11/c1-12-6-18(30)29(35)24(37-12)38-16-8-14-9-19-28(40-19)22(25(14,2)10-17(16)39-29)21(32)23(33)26(3)15(4-5-27(26,28)34)13-7-20(31)36-11-13/h7,12,14-19,21-22,24,30,32,34-35H,4-6,8-11H2,1-3H3/t12-,14-,15-,16-,17-,18-,19+,21+,22-,24+,25+,26+,27-,28+,29+/m1/s1
InChIKeyFKJNCBGJYUAKQQ-MBVMSADQSA-N
Roles Classification
Application:
cardioprotective agent  Any protective agent that is able to prevent damage to the heart.
ChEBI Ontology
Outgoing Relation(s)
Eriocarpin (CHEBI:4830) is a cardenolide glycoside (CHEBI:38092)
Synonym  Source
EriocarpinKEGG COMPOUND
Manual XrefsDatabases
C00003621KNApSAcK
C08865KEGG COMPOUND
Registry NumbersSources
CAS:66419-09-8KEGG COMPOUND