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CHEBI:178171 - Osmanthuside A

ChEBI IDCHEBI:178171
ChEBI NameOsmanthuside A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H26O9
Net Charge0
Average Mass446.452
Monoisotopic Mass446.15768
SMILESO=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)[C@@H](O)[C@H](OCCc2ccc(O)cc2)O[C@@H]1CO
InChIInChI=1S/C23H26O9/c24-13-18-22(32-19(27)10-5-14-1-6-16(25)7-2-14)20(28)21(29)23(31-18)30-12-11-15-3-8-17(26)9-4-15/h1-10,18,20-26,28-29H,11-13H2/b10-5+/t18-,20-,21-,22-,23-/m1/s1
InChIKeyTXIKDCCKEBXQGU-WYSYKVOOSA-N
Species of MetaboliteComponentSourceComments
Arisaema erubescens (ncbitaxon:228806) bulb (BTO:0000159) MetaboLights (MTBLS2858)
ChEBI Ontology
Outgoing Relation(s)
Osmanthuside A (CHEBI:178171) is a cinnamate ester (CHEBI:36087)
IUPAC Name 
[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
Manual XrefsDatabases
103883936ChemSpider