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

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oxidized Latia luciferin

	Properties	Image
MNX_ID	MNXM4763
reference	chebi:18015
formula	C₁₃H₂₂O
global charge	0
mol weight	194.318
InChIKey	QJJDNZGPQDGNDX-UHFFFAOYSA-N
InChI	InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-9H2,1-4H3
SMILES	CC(=O)CCC1=C(C)CCCC1(C)C

MNX internals

InChI (mnx)	InChI=1/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-9H2,1-4H3
SMILES (mnx)	[CH3:1][C:10]1=[C:12]([CH2:8][CH2:7][C:11]([CH3:2])=[O:14])[C:13]([CH3:3])([CH3:4])[CH2:9][CH2:5][CH2:6]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:18015 chebi:18015 QJJDNZGPQDGNDX-UHFFFAOYSA-N	oxidized Latia luciferin 4-(2,6,6-trimethylcyclohex-1-en-1-yl)butan-2-one 7,8-dihydro-beta-ionone Oxidized Latia luciferin dihydro-beta-ionone
hmdb:HMDB0032913 QJJDNZGPQDGNDX-UHFFFAOYSA-N	4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanone 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanone, 9ci 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)butan-2-one 4-(2,6,6-Trimethyl-1-cyclohexenyl)-2-butanone 4-(2,6,6-Trimethylcyclohex-1-en-1-yl)butan-2-one 4-(2,6,6-trimethylcyclohex-1-en-1-yl)butan-2-one 5-Megastigmen-9-one 7,8-Dihydro-b-ionone 7,8-Dihydro-beta-ionone 7,8-dehydro-beta-Ionone Dihydro-b-ionone Dihydro-beta-ionone Oxidized latia luciferin Oxidized-latia-luciferin alpha,beta-dihydro-beta-Ionone dihydro-beta-ionone
metacyc.compound:OXIDIZED-LATIA-LUCIFERIN metacycM:OXIDIZED-LATIA-LUCIFERIN QJJDNZGPQDGNDX-UHFFFAOYSA-N	Latia oxyluciferin oxidized Latia luciferin
kegg.compound:C03527 keggC:C03527 QJJDNZGPQDGNDX-UHFFFAOYSA-N	Oxidized Latia luciferin
seed.compound:cpd02224 seedM:cpd02224 QJJDNZGPQDGNDX-UHFFFAOYSA-N	Oxidized Latia luciferin Latia oxyluciferin oxidized Latia luciferin oxidized latia luciferin
envipath:...8a57a2505f77 envipathM:...8a57a2505f77 QJJDNZGPQDGNDX-UHFFFAOYSA-N	compound 0048933
hmdb:HMDB32913 chebi:14710 chebi:25743 chebi:7828 keggC:M_C03527 seedM:M_cpd02224	secondary/obsolete/fantasy identifier