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CHEBI:5646 - Hellicoside

ChEBI IDCHEBI:5646
ChEBI NameHellicoside
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC29H36O17
Net Charge0
Average Mass656.590
Monoisotopic Mass656.19525
SMILESO=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](OC[C@@H](O)c2ccc(O)c(O)c2)O[C@@H]1CO
InChIInChI=1S/C29H36O17/c30-9-19-22(38)23(39)24(40)29(43-19)46-27-25(41)28(42-11-18(36)13-3-5-15(33)17(35)8-13)44-20(10-31)26(27)45-21(37)6-2-12-1-4-14(32)16(34)7-12/h1-8,18-20,22-36,38-41H,9-11H2/b6-2+/t18-,19-,20-,22-,23+,24-,25-,26-,27-,28-,29+/m1/s1
InChIKeyIKASMYQBXBUEQS-AEAUTZEXSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Hellicoside (CHEBI:5646) is a hydroxycinnamic acid (CHEBI:24689)
Synonym  Source
HellicosideKEGG COMPOUND
Manual XrefsDatabases
C00002750KNApSAcK
C10466KEGG COMPOUND
Registry NumbersSources
CAS:132278-04-7KEGG COMPOUND