MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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Cohulupone

	Properties	Image
MNX_ID	MNXM123906
reference	chebi:174323
formula	C₁₉H₂₆O₄
global charge	0
mol weight	318.413
InChIKey	HMEGPOIWNGKXBR-UHFFFAOYSA-N
InChI	InChI=1S/C19H26O4/c1-11(2)7-9-19(10-8-12(3)4)17(22)14(15(20)13(5)6)16(21)18(19)23/h7-8,13-14H,9-10H2,1-6H3
SMILES	CC(C)=CCC1(CC=C(C)C)C(=O)C(=O)C(C(=O)C(C)C)C1=O

MNX internals

InChI (mnx)	InChI=1/C19H26O4/c1-11(2)7-9-19(10-8-12(3)4)17(22)14(15(20)13(5)6)16(21)18(19)23/h7-8,13-14H,9-10H2,1-6H3/t14?
SMILES (mnx)	[CH3:1][C:11]([CH3:2])=[CH:7][CH2:9][C:19]1([CH2:10][CH:8]=[C:12]([CH3:3])[CH3:4])[C:17](=[O:22])[CH:14]([C:15]([CH:13]([CH3:5])[CH3:6])=[O:20])[C:16](=[O:21])[C:18]1=[O:23]

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
Identifier	Description
CHEBI:174323 chebi:174323 HMEGPOIWNGKXBR-UHFFFAOYSA-N	Cohulupone 3,3-bis(3-methylbut-2-enyl)-5-(2-methylpropanoyl)cyclopentane-1,2,4-trione
hmdb:HMDB0030064 HMEGPOIWNGKXBR-UHFFFAOYSA-N	Cohulupone 3,3-Bis(3-methyl-2-butenyl)-5-(2-methyl-1-oxopropyl)-1,2,4-cyclopentanetrione, 9ci 3,3-bis(3-methylbut-2-en-1-yl)-5-(2-methylpropanoyl)cyclopentane-1,2,4-trione Cohulupon
hmdb:HMDB30064	secondary/obsolete/fantasy identifier