EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:49887 - [(3S)-9-hydroxy-1-methyl-10-oxo-4,10-dihydro-3H-benzo[g]isochromen-3-yl]acetic acid

ChEBI IDCHEBI:49887
ChEBI Name[(3S)-9-hydroxy-1-methyl-10-oxo-4,10-dihydro-3H-benzo[g]isochromen-3-yl]acetic acid
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC16H14O5
Net Charge0
Average Mass286.283
Monoisotopic Mass286.08412
SMILES[H]OC(=O)C([H])([H])[C@@]1([H])OC(C([H])([H])[H])=C2C(=O)c3c(O[H])c([H])c([H])c([H])c3C([H])=C2C1([H])[H]
InChIInChI=1S/C16H14O5/c1-8-14-10(6-11(21-8)7-13(18)19)5-9-3-2-4-12(17)15(9)16(14)20/h2-5,11,17H,6-7H2,1H3,(H,18,19)/t11-/m0/s1
InChIKeyHHXSOTFPYPQSBU-NSHDSACASA-N
ChEBI Ontology
Outgoing Relation(s)
[(3S)-9-hydroxy-1-methyl-10-oxo-4,10-dihydro-3H-benzo[g]isochromen-3-yl]acetic acid (CHEBI:49887) is a organic heterotricyclic compound (CHEBI:26979)
[(3S)-9-hydroxy-1-methyl-10-oxo-4,10-dihydro-3H-benzo[g]isochromen-3-yl]acetic acid (CHEBI:49887) is a organooxygen compound (CHEBI:36963)
Synonyms  Source
[(3S)-9-hydroxy-1-methyl-10-oxo-4,10-dihydro-3H-benzo[g]isochromen-3-yl]acetic acidPDBeChem
4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho[2,3-c]pyran-3-acetic acidKEGG COMPOUND
Manual XrefsDatabases
SDNPDBeChem
C12434KEGG COMPOUND