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CHEBI:77728 - bergaptol(1−)
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ChEBI Name
bergaptol(1−)
ChEBI ID
CHEBI:77728
ChEBI ASCII Name
bergaptol(1-)
Definition
A phenolate anion that is the conjugate base of bergaptol, obtained by deprotonation of the phenolic hydroxy substituent. Major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
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This entity has been manually annotated by the ChEBI Team.
Submitter
Anne Morgat
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Formula
C11H5O4
Net Charge
-1
Average Mass
201.15550
Monoisotopic Mass
201.01933
InChI
InChI=1S/C11H6O4/c12-10-2-1-6-9(15-10)5-8-7(11(6)13)3-4-14-8/h1-5,13H/p-1
InChIKey
GIJHDGJRTUSBJR-UHFFFAOYSA-M
SMILES
[O-]c1c2ccoc2cc2oc(=O)ccc12
ChEBI Ontology
Outgoing
bergaptol(1−) (
CHEBI:77728
)
is a
phenolate anion (
CHEBI:50525
)
bergaptol(1−) (
CHEBI:77728
)
is conjugate base of
bergaptol (
CHEBI:17377
)
Incoming
bergaptol (
CHEBI:17377
)
is conjugate acid of
bergaptol(1−) (
CHEBI:77728
)
IUPAC Name
7-oxo-7
H
-furo[3,2-
g
]chromen-4-olate
Synonym
Source
bergaptol
UniProt
Last Modified
19 June 2014