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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:16445 - stipitatonic acid
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ChEBI Ontology
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ChEBI Name
stipitatonic acid
ChEBI ID
CHEBI:16445
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:9273, CHEBI:15117, CHEBI:26778
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Formula
C9H4O6
Net Charge
0
Average Mass
208.12446
Monoisotopic Mass
208.00079
InChI
InChI=1S/C9H4O6/c10-4-1-3-7(6(12)2-5(4)11)9(14)15-8(3)13/h1-2,12H,(H,10,11)
InChIKey
IECSWTFJOUGQFO-UHFFFAOYSA-N
SMILES
Oc1cc(=O)c(O)cc2C(=O)OC(=O)c12
ChEBI Ontology
Outgoing
stipitatonic acid (
CHEBI:16445
)
is a
cyclic dicarboxylic anhydride (
CHEBI:36609
)
stipitatonic acid (
CHEBI:16445
)
is a
cycloheptafuran (
CHEBI:39435
)
stipitatonic acid (
CHEBI:16445
)
is conjugate acid of
stipitaton-4-olate (
CHEBI:57775
)
Incoming
stipitaton-4-olate (
CHEBI:57775
)
is conjugate base of
stipitatonic acid (
CHEBI:16445
)
IUPAC Name
4,7-dihydroxy-1
H
-cyclohepta[
c
]furan-1,3,6-trione
Synonyms
Sources
3,6-dihydroxy-5-oxo-1,3,6-cycloheptatriene-1,2-dicarboxylic anhydride
ChemIDplus
3,6-dihydroxy-5-oxocyclohepta-1,3,6-triene-1,2-dicarboxylic anhydride
ChEBI
Stipitatonate
KEGG COMPOUND
stipitatonic acid
ChemIDplus
Manual Xref
Database
C02080
KEGG COMPOUND
View more database links
Registry Number
Type
Source
606-39-3
CAS Registry Number
ChemIDplus
Last Modified
23 December 2018