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CHEBI:229114 - Erychroside

Default Structure
ChEBI IDCHEBI:229114
ChEBI NameErychroside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H50O13
Net Charge0
Average Mass666.761
Monoisotopic Mass666.32514
SMILES[H][C@]12CC[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@]3(O)[C@]1([H])CC[C@]1(O)C[C@@H](O[C@H]3C[C@H](O)[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](C)O3)CC[C@@]12C=O
InChIInChI=1S/C34H50O13/c1-17-29(47-30-28(40)27(39)24(37)15-44-30)23(36)12-26(45-17)46-19-3-8-32(16-35)21-4-7-31(2)20(18-11-25(38)43-14-18)6-10-34(31,42)22(21)5-9-33(32,41)13-19/h11,16-17,19-24,26-30,36-37,39-42H,3-10,12-15H2,1-2H3/t17-,19+,20-,21+,22-,23+,24-,26+,27+,28-,29-,30+,31-,32+,33+,34+/m1/s1
InChIKeyGPMRZMZJGUPWPZ-BRBRUXTHSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
Roles Classification
Application:
cardioprotective agent  Any protective agent that is able to prevent damage to the heart.
ChEBI Ontology
Outgoing Relation(s)
Erychroside (CHEBI:229114) is a cardenolide glycoside (CHEBI:38092)
IUPAC Name 
(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-3-[(2R,4S,5S,6R)-4-hydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-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]phenanthrene-10-carbaldehyde
Manual XrefsDatabases
107795ChemSpider