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CHEBI:68344 - beta-(4-hydroxyphenyl)ethyl-3-O-E-caffeoyl-O-[beta-D-apiofuranosyl-(1->2)]-beta-D-glucopyranoside

ChEBI IDCHEBI:68344
ChEBI Namebeta-(4-hydroxyphenyl)ethyl-3-O-E-caffeoyl-O-[beta-D-apiofuranosyl-(1->2)]-beta-D-glucopyranoside
Stars
DefinitionA natural product found in Lepisorus contortus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC28H34O14
Net Charge0
Average Mass594.566
Monoisotopic Mass594.19486
SMILES[H][C@@]1(O[C@H]2[C@H](OCCc3ccc(O)cc3)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)OC[C@](O)(CO)[C@H]1O
InChIInChI=1S/C28H34O14/c29-12-20-22(35)23(41-21(34)8-4-16-3-7-18(32)19(33)11-16)24(42-27-25(36)28(37,13-30)14-39-27)26(40-20)38-10-9-15-1-5-17(31)6-2-15/h1-8,11,20,22-27,29-33,35-37H,9-10,12-14H2/b8-4+/t20-,22-,23+,24-,25+,26-,27+,28-/m1/s1
InChIKeyRHQIZJFLMIOHRF-QNQOXIBFSA-N
Species of MetaboliteComponentSourceComments
Lepisorus contortus (ncbitaxon:699669) whole plant (BTO:0001461) PubMed (21261296) 95% EtOH extract of air-dried, powdered whole plant
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
beta-(4-hydroxyphenyl)ethyl-3-O-E-caffeoyl-O-[beta-D-apiofuranosyl-(1->2)]-beta-D-glucopyranoside (CHEBI:68344) has role metabolite (CHEBI:25212)
beta-(4-hydroxyphenyl)ethyl-3-O-E-caffeoyl-O-[beta-D-apiofuranosyl-(1->2)]-beta-D-glucopyranoside (CHEBI:68344) is a hydroxycinnamic acid (CHEBI:24689)
Citations