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

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cubebol

	Properties	Image
MNX_ID	MNXM4536
reference	chebi:63446
formula	C₁₅H₂₆O
global charge	0
mol weight	222.372
InChIKey	KONGRWVLXLWGDV-BYGOPZEFSA-N
InChI	InChI=1S/C15H26O/c1-9(2)11-6-5-10(3)15-8-7-14(4,16)13(15)12(11)15/h9-13,16H,5-8H2,1-4H3/t10-,11+,12-,13+,14+,15-/m1/s1
SMILES	CC(C)[C@@H]1CC[C@@H](C)[C@@]23CC[C@](C)(O)[C@@H]2[C@@H]13

MNX internals

InChI (mnx)	InChI=1/C15H26O/c1-9(2)11-6-5-10(3)15-8-7-14(4,16)13(15)12(11)15/h9-13,16H,5-8H2,1-4H3/t10-,11+,12-,13+,14+,15-/m1/s1
SMILES (mnx)	[CH3:1][CH:9]([CH3:2])[C@@H:11]1[CH2:6][CH2:5][C@@H:10]([CH3:3])[C@@:15]23[CH2:8][CH2:7][C@:14]([CH3:4])([OH:16])[C@@H:13]2[C@@H:12]13

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:63446 chebi:63446 KONGRWVLXLWGDV-BYGOPZEFSA-N	cubebol (-)-(1R,4S,5R,6R,7S,10R)-7-isopropyl-4,10-dimethyl-tricyclo[4.4.0.0(1,5)]decan-4-ol (-)-cubebol (1R,4S,5R,6R,7S,10R)-7-isopropyl-4,10-dimethyl-tricyclo[4.4.0.0(1,5)]decan-4-ol (3S,3aR,3bR,4S,7R,7aR)-3,7-dimethyl-4-(propan-2-yl)octahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzen-3-ol cubeb camphor
sabiork.compound:32546 sabiorkM:32546 kegg.compound:C20172 keggC:C20172 KONGRWVLXLWGDV-BYGOPZEFSA-N KONGRWVLXLWGDV-XWBCKKLOSA-N	Cubebol
seed.compound:cpd21405 seedM:cpd21405 KONGRWVLXLWGDV-BYGOPZEFSA-N	Cubebol cubebol
metacyc.compound:CPD-13860 metacycM:CPD-13860 KONGRWVLXLWGDV-BYGOPZEFSA-N	cubebol
keggC:M_C20172 seedM:M_cpd21405	secondary/obsolete/fantasy identifier