Ontologiesโ–ธmicroโ–ธclassesโ–ธCHEBI:68129   
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hydrangeic acid 4'-O-beta-D-glucopyranosideImported
http://purl.obolibrary.org/obo/CHEBI_68129

A monohydroxybenzoic acid that is benzoic acid substituted by a hydroxy group at position 6 and a 2-phenylethenyl group at position 2 which in turn is attached to a beta-D-glucopyranosyloxy group at position 4. It has been isolated from the roots of Scorzonera judaica.

Defined bychebi
Also appears inslm
Exact Synonyms
2-{(E)-2-[4-(beta-D-glucopyranosyloxy)phenyl]ethenyl}-6-hydroxybenzoic acid
class Information
formula

C21H22O9

has_dbxref
has_obo_namespace

chebi_ontology

inchikey

NHIDPRPJJPJNAB-PQMYGHKGSA-N

inchi

InChI=1S/C21H22O9/c22-10-15-17(24)18(25)19(26)21(30-15)29-13-8-5-11(6-9-13)4-7-12-2-1-3-14(23)16(12)20(27)28/h1-9,15,17-19,21-26H,10H2,(H,27,28)/b7-4+/t15-,17-,18+,19-,21-/m1/s1

mass

418.39400

monoisotopicmass

418.126

smiles

OC[C@H]1O[C@@H](Oc2ccc(\C=C\c3cccc(O)c3C(O)=O)cc2)[C@H](O)[C@@H](O)[C@@H]1O

class Relations