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

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neoisomenthol

	Properties	Image
MNX_ID	MNXM12445
reference	chebi:18451
formula	C₁₀H₂₀O
global charge	0
mol weight	156.269
InChIKey	NOOLISFMXDJSKH-OPRDCNLKSA-N
InChI	InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9-,10-/m1/s1
SMILES	CC(C)[C@H]1CC[C@@H](C)C[C@H]1O

MNX internals

InChI (mnx)	InChI=1/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9-,10-/m1/s1
SMILES (mnx)	[CH3:1][CH:7]([CH3:2])[C@H:9]1[CH2:5][CH2:4][C@@H:8]([CH3:3])[CH2:6][C@H:10]1[OH:11]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	11
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:18451 chebi:18451 lipidmaps:LMPR0102090057 lipidmapsM:LMPR0102090057 NOOLISFMXDJSKH-OPRDCNLKSA-N	neoisomenthol (1alpha,2alpha,5alpha)-5-methyl-2-(1-methylethyl)cyclohexanol cis-1,3,cis-1,4-menthol iso-neomenthol rel-(1R,2R,5R)-5-methyl-2-(propan-2-yl)cyclohexan-1-ol
hmdb:HMDB0041628 NOOLISFMXDJSKH-OPRDCNLKSA-N	(+)-Neoisomenthol (1R,2R,5R)-5-methyl-2-(propan-2-yl)cyclohexan-1-ol (1R,3R,4R)-Form (1a,2a,5a)-5-Methyl-2-(1-methylethyl)cyclohexanol (1alpha,2alpha,5alpha)-5-Methyl-2-(1-methylethyl)cyclohexanol (1alpha,2alpha,5alpha)-5-methyl-2-(1-methylethyl)cyclohexanol Iso-neomenthol Isomenthol P-Menthan-3-ol cis-1,3,cis-1,4-Menthol neoisomenthol
metacyc.compound:CPD-4945 metacycM:CPD-4945 seed.compound:cpd24550 seedM:cpd24550 NOOLISFMXDJSKH-OPRDCNLKSA-N	(+)-neoisomenthol
hmdb:HMDB41628 seedM:M_cpd24550	secondary/obsolete/fantasy identifier