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CHEBI:68343 - beta-(3,4-dihydroxyphenyl)ethyl-3-O-E-caffeoyl-O-[beta-D-apiofuranosyl-(1->2)]-beta-D-glucopyranoside

ChEBI IDCHEBI:68343
ChEBI Namebeta-(3,4-dihydroxyphenyl)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
FormulaC28H34O15
Net Charge0
Average Mass610.565
Monoisotopic Mass610.18977
SMILES[H][C@@]1(O[C@H]2[C@H](OCCc3ccc(O)c(O)c3)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/C28H34O15/c29-11-20-22(36)23(42-21(35)6-3-14-1-4-16(31)18(33)9-14)24(43-27-25(37)28(38,12-30)13-40-27)26(41-20)39-8-7-15-2-5-17(32)19(34)10-15/h1-6,9-10,20,22-27,29-34,36-38H,7-8,11-13H2/b6-3+/t20-,22-,23+,24-,25+,26-,27+,28-/m1/s1
InChIKeyYWKLZOGFDAIZCI-FQMHKDNFSA-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-(3,4-dihydroxyphenyl)ethyl-3-O-E-caffeoyl-O-[beta-D-apiofuranosyl-(1->2)]-beta-D-glucopyranoside (CHEBI:68343) has role metabolite (CHEBI:25212)
beta-(3,4-dihydroxyphenyl)ethyl-3-O-E-caffeoyl-O-[beta-D-apiofuranosyl-(1->2)]-beta-D-glucopyranoside (CHEBI:68343) is a hydroxycinnamic acid (CHEBI:24689)
Citations