Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
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
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formulae
C14H16O9
C14H16O9
Net Charge
0
Average Mass
328.27140
Monoisotopic Mass
328.07943
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 (Br
o
nsted 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
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);