CHEBI:177500 - calceolarioside A

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ChEBI Name calceolarioside A
ChEBI ID CHEBI:177500
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H26O11
Net Charge 0
Average Mass 478.450
Monoisotopic Mass 478.14751
InChI InChI=1S/C23H26O11/c24-11-18-22(34-19(29)6-3-12-1-4-14(25)16(27)9-12)20(30)21(31)23(33-18)32-8-7-13-2-5-15(26)17(28)10-13/h1-6,9-10,18,20-28,30-31H,7-8,11H2/b6-3+/t18-,20-,21-,22-,23-/m1/s1
InChIKey UHIGZYLCYRQESL-VJWFJHQPSA-N
SMILES O1[C@@H]([C@@H](OC(=O)/C=C/C2=CC(O)=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1OCCC3=CC(O)=C(O)C=C3)CO
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in Sausage (ENVO:00002166). See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing calceolarioside A (CHEBI:177500) is a hydroxycinnamic acid (CHEBI:24689)
IUPAC Name
[(2R,3S,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Manual Xref Database
4437969 ChemSpider
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Registry Number Type Source
84744-28-5 CAS Registry Number ChemIDplus