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> Main
CHEBI:70476 - bergomottin
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ChEBI Ontology
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ChEBI Name
bergomottin
ChEBI ID
CHEBI:70476
Definition
A natural product found in
Citrus hystrix
.
Stars
This entity has been manually annotated by a third party.
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Formula
C21H22O4
Net Charge
0
Average Mass
338.39700
Monoisotopic Mass
338.15181
InChI
InChI=1S/C21H22O4/c1-
14(2)
5-
4-
6-
15(3)
9-
11-
24-
21-
16-
7-
8-
20(22)
25-
19(16)
13-
18-
17(21)
10-
12-
23-
18/h5,7-
10,12-
13H,4,6,11H2,1-
3H3/b15-
9+
InChIKey
DBMJZOMNXBSRED-OQLLNIDSSA-N
SMILES
CC(C)=CCC\C(C)=C\COc1c2ccoc2cc2oc(=O)ccc12
Metabolite of Species
Details
Citrus hystrix
(NCBI:txid170989)
Found in exocarp
(BTO:0000733)
. The hexane extract of dried and ground fruit peels See:
PubMed
Roles Classification
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
bergomottin (
CHEBI:70476
)
has role
metabolite (
CHEBI:25212
)
bergomottin (
CHEBI:70476
)
is a
furanocoumarin (
CHEBI:24128
)
Synonyms
Sources
4-{[(2E)-3,7-Dimethylocta-2,6-dien-1-yl]oxy}-7H-furo[3,2-g]chromen-7-one
ChEBI
5-Geranoxypsoralen
ChEBI
Bergamotine
ChEBI
bergamottin
ChEBI
Bergaptin
ChEBI
Registry Number
Type
Source
7380-40-7
CAS Registry Number
ChemIDplus
Citation
Type
Source
20964319
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:terpene lactone(CHEBI:37668); ISA:psoralens(CHEBI:26369); ISA:1-benzopyran(CHEBI:38443); ISA:monoterpenoid(CHEBI:25409); ISA:benzofurans(CHEBI:35259); ISA:pyranone(CHEBI:37963); ISA:aromatic ether(CHEBI:35618); ISA:benzenoid aromatic compound(CHEBI:33836); ISA:furans(CHEBI:24129); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:lactone(CHEBI:25000);