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CHEBI:10214 - alpha-Antiarin

Default Structure
ChEBI IDCHEBI:10214
ChEBI Namealpha-Antiarin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC29H42O11
Net Charge0
Average Mass566.644
Monoisotopic Mass566.27271
SMILES[H][C@]12C[C@@H](O)[C@@]3(C)[C@](O)(CC[C@]3([H])C3=CC(=O)OC3)[C@]1([H])CC[C@]1(O)C[C@@H](O[C@@H]3O[C@H](C)[C@H](O)[C@@H](O)[C@H]3O)CC[C@@]12C=O
InChIInChI=1S/C29H42O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)19-10-20(31)26(2)17(15-9-21(32)38-12-15)5-8-29(26,37)18(19)4-7-28(27,36)11-16/h9,13-14,16-20,22-25,31,33-37H,3-8,10-12H2,1-2H3/t14-,16+,17-,18-,19+,20-,22+,23-,24-,25+,26+,27+,28+,29+/m1/s1
InChIKeyMFIXZHBJWSBQJA-OZQKXHGLSA-N
Roles Classification
Application:
cardioprotective agent  Any protective agent that is able to prevent damage to the heart.
ChEBI Ontology
Outgoing Relation(s)
alpha-Antiarin (CHEBI:10214) is a cardenolide glycoside (CHEBI:38092)
Synonyms  Source
alpha-AntiarinKEGG COMPOUND
Antiarigenin 3-O-beta-D-antiarosideKEGG COMPOUND
Manual XrefsDatabases
C00003601KNApSAcK
C08847KEGG COMPOUND
Registry NumbersSources
CAS:23605-05-2KEGG COMPOUND