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

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(-)-Nopol

	Properties	Image
MNX_ID	MNXM114836
reference	chebi:171826
formula	C₁₁H₁₈O
global charge	0
mol weight	166.264
InChIKey	ROKSAUSPJGWCSM-UWVGGRQHSA-N
InChI	InChI=1S/C11H18O/c1-11(2)9-4-3-8(5-6-12)10(11)7-9/h3,9-10,12H,4-7H2,1-2H3/t9-,10-/m0/s1
SMILES	CC1(C)[C@H]2CC=C(CCO)[C@@H]1C2

MNX internals

InChI (mnx)	InChI=1/C11H18O/c1-11(2)9-4-3-8(5-6-12)10(11)7-9/h3,9-10,12H,4-7H2,1-2H3/t9-,10-/m0/s1
SMILES (mnx)	[CH3:1][C:11]1([CH3:2])[C@H:9]2[CH2:4][CH:3]=[C:8]([CH2:5][CH2:6][OH:12])[C@@H:10]1[CH2:7]2

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:171826 chebi:171826 ROKSAUSPJGWCSM-UWVGGRQHSA-N	(-)-Nopol 2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethanol
hmdb:HMDB0030002 ROKSAUSPJGWCSM-UHFFFAOYSA-N	(-)-Nopol 2-{6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl}ethan-1-ol 2-{6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl}ethanol Nopol
hmdb:HMDB30002	secondary/obsolete/fantasy identifier