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CHEBI:186470 - SARMENTOSIDE B

Default Structure
ChEBI IDCHEBI:186470
ChEBI NameSARMENTOSIDE B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H48O13
Net Charge0
Average Mass664.745
Monoisotopic Mass664.30949
SMILESCOC1C(O)C(O[C@H]2CC[C@]3(C=O)C4C(OC(C)=O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)C4CC[C@]3(O)C2)OC(C)C1OC(C)=O
InChIInChI=1S/C34H48O13/c1-17-28(46-19(3)37)29(42-5)27(39)30(44-17)47-21-6-9-32(16-35)26-23(7-10-33(32,40)13-21)34(41)11-8-22(20-12-25(38)43-15-20)31(34,4)14-24(26)45-18(2)36/h12,16-17,21-24,26-30,39-41H,6-11,13-15H2,1-5H3/t17?,21-,22+,23?,24?,26?,27?,28?,29?,30?,31+,32-,33-,34-/m0/s1
InChIKeyJJSVXWKQLGHFES-BQRCQHSYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Application:
cardioprotective agent  Any protective agent that is able to prevent damage to the heart.
ChEBI Ontology
Outgoing Relation(s)
SARMENTOSIDE B (CHEBI:186470) is a cardenolide glycoside (CHEBI:38092)
IUPAC Name 
[(3S,5S,10S,11R,13R,14S,17R)-3-(5-acetyloxy-3-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-10-ormyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-uran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-11-yl] acetate
Manual XrefsDatabases
5140689ChemSpider