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CHEBI:137099 - Helveticosol

Default Structure
ChEBI IDCHEBI:137099
ChEBI NameHelveticosol
Stars
Last Modified19 May 2017
Submittermwilliams
DownloadsMolfile
FormulaC29H44O9
Net Charge0
Average Mass536.662
Monoisotopic Mass536.29853
SMILESC[C@H]1O[C@@H](O[C@H]2CC[C@]3(CO)C4CC[C@]5(C)C(C6=CC(=O)OC6)CC[C@]5(O)C4CC[C@]3(O)C2)C[C@H](O)[C@@H]1O
InChIInChI=1S/C29H44O9/c1-16-25(33)22(31)12-24(37-16)38-18-3-8-27(15-30)20-4-7-26(2)19(17-11-23(32)36-14-17)6-10-29(26,35)21(20)5-9-28(27,34)13-18/h11,16,18-22,24-25,30-31,33-35H,3-10,12-15H2,1-2H3/t16-,18+,19?,20?,21?,22+,24+,25-,26-,27+,28+,29+/m1/s1
InChIKeyKISYRRMFQYIIFQ-PQLBFUHRSA-N
Roles Classification
Application:
cardioprotective agent  Any protective agent that is able to prevent damage to the heart.
ChEBI Ontology
Outgoing Relation(s)
Helveticosol (CHEBI:137099) is a cardenolide glycoside (CHEBI:38092)
Manual XrefsDatabases
4476648ChemSpider