CHEBI:68345 - Calceolarioside B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Calceolarioside B
ChEBI ID CHEBI:68345
Definition A natural product found in Lepisorus contortus.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C23H26O11
Net Charge 0
Average Mass 478.44590
Monoisotopic Mass 478.14751
InChI InChI=1S/C23H26O11/c24-14-4-1-12(9-16(14)26)3-6-19(28)33-11-18-20(29)21(30)22(31)23(34-18)32-8-7-13-2-5-15(25)17(27)10-13/h1-6,9-10,18,20-27,29-31H,7-8,11H2/b6-3+/t18-,20-,21+,22-,23-/m1/s1
InChIKey LFKQVVDFNHDYNK-FOXCETOMSA-N
SMILES O[C@@H]1[C@@H](COC(=O)\C=C\c2ccc(O)c(O)c2)O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@H]1O
Metabolite of Species Details
Lepisorus contortus (NCBI:txid699669) Found in whole plant (BTO:0001461). 95% EtOH extract of air-dried, powdered whole plant See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Calceolarioside B (CHEBI:68345) has role metabolite (CHEBI:25212)
Calceolarioside B (CHEBI:68345) is a hydroxycinnamic acid (CHEBI:24689)
Synonym Source
2-(3,4-Dihydroxyphenyl)ethyl 6-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-beta-D-glucopyranoside ChEBI
Citation Waiting for Citations Type Source
21261296 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:cinnamate ester(CHEBI:36087); ISA:glycoside(CHEBI:24400); ISA:phenols(CHEBI:33853); ISA:alcohol(CHEBI:30879); ISA:olefinic compound(CHEBI:78840); ISA:styrenes(CHEBI:26799); ISA:catechols(CHEBI:33566); ISA:fatty acid ester(CHEBI:35748); ISA:oxanes(CHEBI:46942); ISA:monosaccharide(CHEBI:35381); ISA:enoate ester(CHEBI:51702); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:secondary alcohol(CHEBI:35681); ISA:polyol(CHEBI:26191); ISA:organonitrogen compound(CHEBI:35352); ISA:acetal(CHEBI:59769); ISA:monocarboxylic acid(CHEBI:25384); ISA:carbonyl compound(CHEBI:36586); ISA:aromatic alcohol(CHEBI:33854);