BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

6-Hydroxyflavanone

Graphical representations:

6-Hydroxyflavanone image

Molecular Formula: C15 H12 O3

Natural Isotopic Abundance Mass: 240.25398

Mono-Isotopic Molecular Masses:

  • C12N14: 240.0786442515
  • C13N14: 255.1289668185
  • C12N15: 240.0786442515
  • C13N15: 255.1289668185

InCHi String: InChI=1S/C15H12O3/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-8,15-16H,9H2

canonical and isomeric SMILES: C1C(OC2=C(C1=O)C=C(C=C2)O)C3=CC=CC=C3

PUBCHEM iupac NAME
6-hydroxy-2-phenyl-2,3-dihydrochromen-4-one

PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME
6-hydroxy-2-phenyl-chroman-4-one

PUBCHEM iupac CAS NAME
6-hydroxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one

PUBCHEM iupac SYSTEMATIC NAME
6-oxidanyl-2-phenyl-2,3-dihydrochromen-4-one

PubChem Substance (SID):   144080986   7847031   48421935
PubChem Compound (CID):   2734580
KEGG: Compound ID   C14221
CAS Registry IDs:   4250-77-5
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CAS 4250-77-5   MMCD cq_10062   Sigma-Aldrich 419796_ALDRICH   ChEBI CHEBI:34471   EPA DSSTox 22429   NMRShiftDB 20209224   ChEMBL CHEMBL195033

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.