CHEBI:81161 - beta-Hydroxyacteoside

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ChEBI Name beta-Hydroxyacteoside
ChEBI ID CHEBI:81161
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C29H36O16
Net Charge 0
Average Mass 640.58650
Monoisotopic Mass 640.20034
InChI InChI=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
InChIKey XDAXWJHQKZRSEY-XHJPSFMXSA-N
SMILES C[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
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing beta-Hydroxyacteoside (CHEBI:81161) is a hydroxycinnamic acid (CHEBI:24689)
Manual Xref Database
C17528 KEGG COMPOUND
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