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aloesone

PropertiesImage
MNX_IDMNXM8280 Image of MNXM8280
referencechebi:59878
formulaC13H12O4
global charge0
mol weight232.235
InChIKeyJHELBXAAAYUKCT-UHFFFAOYSA-N
InChIInChI=1S/C13H12O4/c1-7-3-9(15)5-12-13(7)11(16)6-10(17-12)4-8(2)14/h3,5-6,15H,4H2,1-2H3
SMILESCC(=O)CC1=CC(=O)C2=C(C)C=C(O)C=C2O1
MNX internals
InChI (mnx)InChI=1/C13H12O4/c1-7-3-9(15)5-12-13(7)11(16)6-10(17-12)4-8(2)14/h3,5-6,15H,4H2,1-2H3 Image of MNXM8280
SMILES (mnx)[CH3:1][C:7]1=[CH:3][C:9]([OH:15])=[CH:5][C:12]2=[C:13]1[C:11](=[O:16])[CH:6]=[C:10]([CH2:4][C:8]([CH3:2])=[O:14])[O:17]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:59878
chebi:59878
JHELBXAAAYUKCT-UHFFFAOYSA-N 		aloesone
2-actonyl-7-hydroxy-5-methylchromone
5-methyl-7-hydroxy-2-(2'oxopropyl)chromone
7-hydroxy-5-methyl-2-(2-oxopropyl)-4H-chromen-4-one

seed.compound:cpd24660
seedM:cpd24660
JHELBXAAAYUKCT-UHFFFAOYSA-M 		2-acetonyl-7-hydroxy-5-methylchromone
aloesone

metacyc.compound:CPD-6801
metacycM:CPD-6801
JHELBXAAAYUKCT-UHFFFAOYSA-N 		aloesone
2-acetonyl-7-hydroxy-5-methylchromone

seedM:M_cpd24660 		secondary/obsolete/fantasy identifier