CHEBI:205716 - 5-hydroxy-4-oxo-2-(2-oxopropyl)-1,2,3,4-tetrahydronaphthalen-1-yl acetate

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ChEBI Name 5-hydroxy-4-oxo-2-(2-oxopropyl)-1,2,3,4-tetrahydronaphthalen-1-yl acetate
ChEBI ID CHEBI:205716
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H16O5
Net Charge 0
Average Mass 276.288
Monoisotopic Mass 276.09977
InChI InChI=1S/C15H16O5/c1-8(16)6-10-7-13(19)14-11(4-3-5-12(14)18)15(10)20-9(2)17/h3-5,10,15,18H,6-7H2,1-2H3/t10-,15+/m1/s1
InChIKey TWPGXUHCCFOPSU-BMIGLBTASA-N
SMILES O=C1C2=C(O)C=CC=C2[C@@H](OC(=O)C)[C@@H](C1)CC(=O)C
Metabolite of Species Details
Micromonosporaspecies NEAU-gq13 (NCBI:txid1274800) See: PubMed
ChEBI Ontology
Outgoing 5-hydroxy-4-oxo-2-(2-oxopropyl)-1,2,3,4-tetrahydronaphthalen-1-yl acetate (CHEBI:205716) is a tetralins (CHEBI:36786)
IUPAC Name
[(1S,2R)-5-hydroxy-4-oxo-2-(2-oxopropyl)-2,3-dihydro-1H-naphthalen-1-yl] acetate