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CHEBI:228896 - Periplocymarin

Default Structure
ChEBI IDCHEBI:228896
ChEBI NamePeriplocymarin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H46O8
Net Charge0
Average Mass534.690
Monoisotopic Mass534.31927
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](OC)[C@H](O)[C@@H](C)O3)CC[C@@]12C
InChIInChI=1S/C30H46O8/c1-17-26(32)23(35-4)14-25(37-17)38-19-5-9-27(2)21-6-10-28(3)20(18-13-24(31)36-16-18)8-12-30(28,34)22(21)7-11-29(27,33)15-19/h13,17,19-23,25-26,32-34H,5-12,14-16H2,1-4H3/t17-,19+,20-,21+,22-,23+,25+,26-,27-,28-,29+,30+/m1/s1
InChIKeyXRWQBDJPMXRDOQ-YUUDFPFBSA-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)
Periplocymarin (CHEBI:228896) is a cardenolide glycoside (CHEBI:38092)
IUPAC Name 
3-[(3S,5S,8R,9S,10R,13R,14S,17R)-5,14-dihydroxy-3-[(2R,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-uran-5-one
Manual XrefsDatabases
10223840ChemSpider