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

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terpin

	Properties	Image
MNX_ID	MNXM161771
reference	chebi:134806
formula	C₁₀H₂₀O₂
global charge	0
mol weight	172.268
InChIKey	RBNWAMSGVWEHFP-WAAGHKOSSA-N
InChI	InChI=1S/C10H20O2/c1-9(2,11)8-4-6-10(3,12)7-5-8/h8,11-12H,4-7H2,1-3H3/t8-,10+
SMILES	CC(C)(O)[C@H]1CC[C@@](C)(O)CC1

MNX internals

InChI (mnx)	InChI=1/C10H20O2/c1-9(2,11)8-4-6-10(3,12)7-5-8/h8,11-12H,4-7H2,1-3H3/t8-,10+
SMILES (mnx)	[CH3:1][C:9]([CH3:2])([C@H:8]1[CH2:4][CH2:6][C@@:10]([CH3:3])([OH:12])[CH2:7][CH2:5]1)[OH:11]

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:134806 chebi:134806 RBNWAMSGVWEHFP-WAAGHKOSSA-N	terpin 1,4-Terpin 1,8-Terpenediol dipenteneglycol terpin hydrate terpin monohydrate
hmdb:HMDB0035595 RBNWAMSGVWEHFP-UHFFFAOYSA-N	trans-p-Menthane-1,8-diol 2-(2'-Hydroxypropan-2'-yl)-5-methylcyclohexanol 2-Hydroxy-alpha,alpha,4-trimethylcyclohexanemethanol 4-(2-hydroxypropan-2-yl)-1-methylcyclohexan-1-ol Emetine hydrochloride Geranodyle Para-menthane-3,8-diol Terpin Terpin hydrate Terpin, monohydrate(cis)-isomer Terpin, titanium (+4) salt p-Menthane-1,8-diol p-Menthane-3,8-diol terpin trans-p-Menthan-1,8-diol
CHEBI:179539 chebi:179539 RBNWAMSGVWEHFP-UHFFFAOYSA-N	trans-p-Menthane-1,8-diol 4-(2-hydroxypropan-2-yl)-1-methylcyclohexan-1-ol
hmdb:HMDB35595	secondary/obsolete/fantasy identifier