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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:69040 - Seselin
Main
ChEBI Ontology
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ChEBI Name
Seselin
ChEBI ID
CHEBI:69040
Definition
A natural product found in
Citropsis articulata
.
Stars
This entity has been manually annotated by a third party.
Secondary ChEBI IDs
CHEBI:9129
Supplier Information
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Formulae
C14H12O3
C14H12O3
Net Charge
0
Average Mass
228.24330
Monoisotopic Mass
228.07864
InChI
InChI=1S/C14H12O3/c1-14(2)8-7-10-11(17-14)5-3-9-4-6-12(15)16-13(9)10/h3-8H,1-2H3
InChIKey
QUVCQYQEIOLHFZ-UHFFFAOYSA-N
SMILES
CC1(C)Oc2ccc3ccc(=O)oc3c2C=C1
Metabolite of Species
Details
Citropsis articulata
(IPNI:771824-1)
Found in root
(BTO:0001188)
. Previous component: root bark; Cyclohexane and ethyl acetate extract of dried, powdered root bark. 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
Seselin (
CHEBI:69040
)
has role
metabolite (
CHEBI:25212
)
Seselin (
CHEBI:69040
)
is a
coumarins (
CHEBI:23403
)
Synonyms
Sources
8,8-dimethyl-2H,8H-pyrano[2,3-f]chromen-2-one
ChEBI
Amyrolin
ChEBI
Seselin
KEGG COMPOUND
Manual Xrefs
Databases
C00000300
KNApSAcK
C09312
KEGG COMPOUND
HMDB0034257
HMDB
View more database links
Registry Numbers
Types
Sources
523-59-1
CAS Registry Number
KEGG COMPOUND
523-59-1
CAS Registry Number
ChemIDplus
Citation
Type
Source
21985060
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:chromenes(CHEBI:23232); ISA:1-benzopyran(CHEBI:38443); ISA:pyranone(CHEBI:37963); ISA:aromatic ether(CHEBI:35618); ISA:benzenoid aromatic compound(CHEBI:33836); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:lactone(CHEBI:25000);