EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:142802 - 3,6,7,9-tetrahydroxy-3-methyl-2,3-dihydro-1H-naphtho[2,1-b]pyran-1-one(1−)

ChEBI IDCHEBI:142802
ChEBI Name3,6,7,9-tetrahydroxy-3-methyl-2,3-dihydro-1H-naphtho[2,1-b]pyran-1-one(1−)
Stars
ASCII Name3,6,7,9-tetrahydroxy-3-methyl-2,3-dihydro-1H-naphtho[2,1-b]pyran-1-one(1-)
DefinitionAn organic anion that is the conjugate base of 3,6,7,9-tetrahydroxy-3-methyl-2,3-dihydro-1H-naphtho[2,1-b]pyran-1-one, arising from the deprotonation of the hydroxy group at position 6; major species at pH 7.3.
Last Modified30 April 2020
SubmitterAnne Morgat
DownloadsMolfile
FormulaC14H11O6
Net Charge-1
Average Mass275.236
Monoisotopic Mass275.05611
SMILESCC1(O)CC(=O)c2c(cc([O-])c3c(O)cc(O)cc23)O1
InChIInChI=1S/C14H12O6/c1-14(19)5-10(18)13-7-2-6(15)3-8(16)12(7)9(17)4-11(13)20-14/h2-4,15-17,19H,5H2,1H3/p-1
InChIKeyXHAKGHGCOBKEEK-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
3,6,7,9-tetrahydroxy-3-methyl-2,3-dihydro-1H-naphtho[2,1-b]pyran-1-one(1−) (CHEBI:142802) is a naphtho-γ-pyrone (CHEBI:64542)
3,6,7,9-tetrahydroxy-3-methyl-2,3-dihydro-1H-naphtho[2,1-b]pyran-1-one(1−) (CHEBI:142802) is a organic anion (CHEBI:25696)
3,6,7,9-tetrahydroxy-3-methyl-2,3-dihydro-1H-naphtho[2,1-b]pyran-1-one(1−) (CHEBI:142802) is conjugate base of 3,6,7,9-tetrahydroxy-3-methyl-2,3-dihydro-1H-naphtho[2,1-b]pyran-1-one (CHEBI:142801)
Incoming Relation(s)
3,6,7,9-tetrahydroxy-3-methyl-2,3-dihydro-1H-naphtho[2,1-b]pyran-1-one (CHEBI:142801) is conjugate acid of 3,6,7,9-tetrahydroxy-3-methyl-2,3-dihydro-1H-naphtho[2,1-b]pyran-1-one(1−) (CHEBI:142802)
IUPAC Names 
3,7,9-trihydroxy-3-methyl-1-oxo-2,3-dihydro-1H-naphtho[2,1-b]pyran-6-olate
3,7,9-trihydroxy-3-methyl-1-oxo-2,3-dihydro-1H-benzo[f]chromen-6-olate
Synonyms  Source
3,6,7,9-tetrahydroxy-3-methyl-1H,2H,3H-naphtho[2,1-b]pyran-1-one(1−)ChEBI
3,6,7,9-tetrahydroxy-3-methyl-2,3-dihydro-1H-benzo[f]chromen-1-one(1−)ChEBI
UniProt Name  Source
3,6,7,9-tetrahydroxy-3-methyl-2,3-dihydro-1H-naphtho[2,1-b]pyran-1-oneUniProt
Citations