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CHEBI:81161 - beta-Hydroxyacteoside

ChEBI IDCHEBI:81161
ChEBI Namebeta-Hydroxyacteoside
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DownloadsMolfile
FormulaC29H36O16
Net Charge0
Average Mass640.591
Monoisotopic Mass640.20034
SMILESC[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCC(O)c3ccc(O)c(O)c3)O[C@H](CO)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C29H36O16/c1-12-22(37)23(38)24(39)29(42-12)45-27-25(40)28(41-11-19(35)14-4-6-16(32)18(34)9-14)43-20(10-30)26(27)44-21(36)7-3-13-2-5-15(31)17(33)8-13/h2-9,12,19-20,22-35,37-40H,10-11H2,1H3/b7-3+/t12-,19?,20+,22-,23+,24+,25+,26+,27+,28+,29-/m0/s1
InChIKeyXDAXWJHQKZRSEY-XHJPSFMXSA-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)
beta-Hydroxyacteoside (CHEBI:81161) is a hydroxycinnamic acid (CHEBI:24689)
Manual XrefsDatabases
C17528KEGG COMPOUND