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

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kunzeaol

	Properties	Image
MNX_ID	MNXM127115
reference	chebi:72776
formula	C₁₅H₂₆O
global charge	0
mol weight	222.372
InChIKey	PXMCURAOQSNMOZ-MDKMTUDGSA-N
InChI	InChI=1S/C15H26O/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h6,10-11,14-16H,5,7-9H2,1-4H3/b12-6+,13-10+/t14-,15+/m1/s1
SMILES	C/C1=C\[C@H](O)[C@@H](C(C)C)CC/C(C)=C/CC1

MNX internals

InChI (mnx)	InChI=1/C15H26O/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h6,10-11,14-16H,5,7-9H2,1-4H3/b12-6+,13-10+/t14-,15+/m1/s1
SMILES (mnx)	[CH3:1][CH:11]([CH3:2])[C@H:14]1[CH2:9][CH2:8]/[C:12]([CH3:3])=[CH:6]/[CH2:5][CH2:7]/[C:13]([CH3:4])=[CH:10]/[C@@H:15]1[OH:16]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:72776 chebi:72776 PXMCURAOQSNMOZ-MDKMTUDGSA-N	kunzeaol (1R,2E,6E,10R)-10-isopropyl-3,7-dimethylcyclodeca-2,6-dien-1-ol 6beta-hydroxygermacra-1(10),4-diene
kegg.compound:C20576 keggC:C20576 PXMCURAOQSNMOZ-MDKMTUDGSA-N	Kunzeaol (1R,2E,6E,10R)-3,7-Dimethyl-10-isopropylcyclodeca-2,6-dienol 6beta-Hydroxygermacra-1(10),4-diene
seed.compound:cpd31198 seedM:cpd31198 PXMCURAOQSNMOZ-MDKMTUDGSA-N	Kunzeaol (1R,2E,6E,10R)-3,7-Dimethyl-10-isopropylcyclodeca-2,6-dienol 6beta-Hydroxygermacra-1(10),4-diene 6beta-hydroxygermacra-1(10),4-diene kunzeaol
metacyc.compound:CPD-15241 metacycM:CPD-15241 PXMCURAOQSNMOZ-MDKMTUDGSA-N	kunzeaol 6beta-hydroxygermacra-1(10),4-diene
keggC:M_C20576 seedM:M_cpd31198	secondary/obsolete/fantasy identifier