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Myrigalone A

PropertiesImage
MNX_IDMNXM29185 Image of MNXM29185
referencechebi:174873
formulaC18H20O4
global charge0
mol weight300.354
InChIKeyCTSXBYQFSBUGKB-UHFFFAOYSA-N
InChIInChI=1S/C18H20O4/c1-11-15(20)14(17(22)18(2,3)16(11)21)13(19)10-9-12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3
SMILESCC1C(=O)C(C(=O)CCC2=CC=CC=C2)C(=O)C(C)(C)C1=O
MNX internals
InChI (mnx)InChI=1/C18H20O4/c1-11-15(20)14(17(22)18(2,3)16(11)21)13(19)10-9-12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3/t11?,14? Image of MNXM29185
SMILES (mnx)[CH3:1][CH:11]1[C:15](=[O:20])[CH:14]([C:13]([CH2:10][CH2:9][C:12]2=[CH:7][CH:5]=[CH:4][CH:6]=[CH:8]2)=[O:19])[C:17](=[O:22])[C:18]([CH3:2])([CH3:3])[C:16]1=[O:21]
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:174873
chebi:174873
CTSXBYQFSBUGKB-UHFFFAOYSA-N 		Myrigalone A
2,2,4-trimethyl-6-(3-phenylpropanoyl)cyclohexane-1,3,5-trione

lipidmaps:LMPK12120594
lipidmapsM:LMPK12120594
CTSXBYQFSBUGKB-UHFFFAOYSA-N 		2,2,4-Trimethyl-6-(1-oxo-3-phenylpropyl)-1,3,5-cyclohexanetrione
hmdb:HMDB0037245
CTSXBYQFSBUGKB-UHFFFAOYSA-N 		Myrigalone A
2,2,4-trimethyl-6-(3-phenylpropanoyl)cyclohexane-1,3,5-trione
Myrigalone a

hmdb:HMDB37245 		secondary/obsolete/fantasy identifier