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3-Hydroxy-2-(4-methylbenzoyl)-4H-1-benzopyran-4-one

PropertiesImage
MNX_IDMNXM117444 Image of MNXM117444
referencechebi:174665
formulaC17H12O4
global charge0
mol weight280.279
InChIKeyIZGJHVUQSWAPEG-UHFFFAOYSA-N
InChIInChI=1S/C17H12O4/c1-10-6-8-11(9-7-10)14(18)17-16(20)15(19)12-4-2-3-5-13(12)21-17/h2-9,20H,1H3
SMILESCC1=CC=C(C(=O)C2=C(O)C(=O)C3=C(C=CC=C3)O2)C=C1
MNX internals
InChI (mnx)InChI=1/C17H12O4/c1-10-6-8-11(9-7-10)14(18)17-16(20)15(19)12-4-2-3-5-13(12)21-17/h2-9,20H,1H3 Image of MNXM117444
SMILES (mnx)[CH3:1][C:10]1=[CH:7][CH:9]=[C:11]([C:14]([C:17]2=[C:16]([OH:20])[C:15](=[O:19])[C:12]3=[CH:4][CH:2]=[CH:3][CH:5]=[C:13]3[O:21]2)=[O:18])[CH:8]=[CH:6]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:174665
chebi:174665
IZGJHVUQSWAPEG-UHFFFAOYSA-N
3-Hydroxy-2-(4-methylbenzoyl)-4H-1-benzopyran-4-one
3-hydroxy-2-(4-methylbenzoyl)chromen-4-one
hmdb:HMDB0031969
IZGJHVUQSWAPEG-UHFFFAOYSA-N
3-Hydroxy-2-(4-methylbenzoyl)-4H-1-benzopyran-4-one
3-Hydroxy-2-(4-methylbenzoyl)chromone
3-hydroxy-2-(4-methylbenzoyl)-4H-chromen-4-one
3-hydroxy-2-(4-methylbenzoyl)chromen-4-one

hmdb:HMDB31969
secondary/obsolete/fantasy identifier