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CHEBI:182054 - Pagoside

ChEBI IDCHEBI:182054
ChEBI NamePagoside
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FormulaC24H28O11
Net Charge0
Average Mass492.477
Monoisotopic Mass492.16316
SMILESCC1=C(C(=O)O)/C(=C\CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(OC(=O)/C=C/c2ccc(O)cc2)C1
InChIInChI=1S/C24H28O11/c1-12-10-16(34-18(27)7-4-13-2-5-14(26)6-3-13)15(19(12)23(31)32)8-9-33-24-22(30)21(29)20(28)17(11-25)35-24/h2-8,16-17,20-22,24-26,28-30H,9-11H2,1H3,(H,31,32)/b7-4+,15-8-/t16?,17-,20-,21+,22-,24-/m1/s1
InChIKeyCBJNLOVRAFQEQH-VUIINJGZSA-N
ChEBI Ontology
Outgoing Relation(s)
Pagoside (CHEBI:182054) is a cinnamate ester (CHEBI:36087)
IUPAC Name 
(5E)-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-2-methyl-5-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylidene]cyclopentene-1-carboxylic acid
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