CHEBI:69499 - Bergenin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Bergenin
ChEBI ID CHEBI:69499
Definition A natural product found in Cenostigma gardnerianum.
Stars This entity has been manually annotated by a third party.
Secondary ChEBI IDs CHEBI:3069
Supplier Information
Download Molfile XML SDF
Formulae C14H16O9
C14H16O9
Net Charge 0
Average Mass 328.27140
Monoisotopic Mass 328.079
InChI InChI=1S/C14H16O9/c1-21-11-5(16)2-4-7(9(11)18)12-13(23-14(4)20)10(19)8(17)6(3-15)22-12/h2,6,8,10,12-13,15-19H,3H2,1H3/t6-,8-,10+,12+,13-/m1/s1
InChIKey YWJXCIXBAKGUKZ-HJJNZUOJSA-N
SMILES [H][C@]12OC(=O)c3cc(O)c(OC)c(O)c3[C@]1([H])O[C@H](CO)[C@@H](O)[C@@H]2O
Metabolite of Species Details
Cenostigma gardnerianum (NCBI:txid397175) Found in stem (BTO:0001300). Previous component: stem bark; 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 Bergenin (CHEBI:69499) has role metabolite (CHEBI:25212)
Bergenin (CHEBI:69499) is a trihydroxybenzoic acid (CHEBI:27115)
Synonyms Sources
(2R,3S,4S,4aR,10bS)-3,4,8,10-Tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydropyrano[3,2-c]isochromen-6(2H)-one ChEBI
Bergenin KEGG COMPOUND
Cuscutin ChEBI
Manual Xrefs Databases
C00002981 KNApSAcK
C09919 KEGG COMPOUND
D01040 KEGG DRUG
View more database links
Registry Numbers Types Sources
477-90-7 CAS Registry Number KEGG COMPOUND
477-90-7 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
21939182 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:phenols(CHEBI:33853); ISA:methoxybenzene(CHEBI:51683); ISA:2-benzopyran(CHEBI:38444); ISA:resorcinols(CHEBI:33572); ISA:aromatic ether(CHEBI:35618); ISA:oxanes(CHEBI:46942); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:lactone(CHEBI:25000); ISA:polyol(CHEBI:26191); ISA:carboxylic ester(CHEBI:33308); ISA:secondary alcohol(CHEBI:35681); ISA:ether(CHEBI:25698); ISA:monocarboxylic acid(CHEBI:25384); ISA:primary alcohol(CHEBI:15734); ISA:carbonyl compound(CHEBI:36586); ISA:aromatic alcohol(CHEBI:33854);