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

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(-)-alpha-Bisabolol

MNXM114388 is deprecated and here replaced by MNXM1371008
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM1371008
reference	chebi:125
formula	C₁₅H₂₆O
global charge	0
mol weight	222.372
InChIKey	RGZSQWQPBWRIAQ-CABCVRRESA-N
InChI	InChI=1S/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,5,8-11H2,1-4H3/t14-,15+/m1/s1
SMILES	CC(C)=CCC[C@](C)(O)[C@@H]1CC=C(C)CC1

MNX internals

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

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:125 chebi:125 RGZSQWQPBWRIAQ-CABCVRRESA-N	(-)-alpha-Bisabolol Levomenol bisabolol kamillosan
lipidmaps:LMPR0103060001 lipidmapsM:LMPR0103060001 RGZSQWQPBWRIAQ-CABCVRRESA-N	(-)-alpha-Bisabolol
hmdb:HMDB0036197 RGZSQWQPBWRIAQ-CABCVRRESA-N	(-)-alpha-Bisabolol (-)-(1'S,2S)-alpha-bisabolol (-)-(1's,2S)-alpha-Bisabolol (-)-(1's,2S)-alpha-bisabolol (-)-(4S,8S)-alpha-Bisabolol (-)-(4S,8S)-alpha-bisabolol (-)-a-Bisabolol (-)-alpha-bisabolol (2S)-6-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-ol (AlphaS,1S)-alpha,4-dimethyl-alpha-(4-methyl-3-penten-1-yl)-3-cyclohexene-1-methanol (alphaS,1S)-alpha,4-dimethyl-alpha-(4-methyl-3-penten-1-yl)-3-cyclohexene-1-methanol Bisabolol Bisabolol, (-)-isomer L-alpha-Bisabolol L-alpha-bisabolol Levomenol a-Bisabolol alpha-(-)-Bisabolol alpha-(-)-bisabolol alpha-bisabolol bisabolol
kegg.compound:C09621 keggC:C09621 RGZSQWQPBWRIAQ-CABCVRRESA-N	(-)-alpha-Bisabolol Levomenol
metacyc.compound:CPD-10759 metacycM:CPD-10759 RGZSQWQPBWRIAQ-CABCVRRESA-N	(-)-alpha-bisabolol levomenol
seed.compound:cpd06515 seedM:cpd06515 RGZSQWQPBWRIAQ-CABCVRRESA-N	Levomenol (-)-alpha-Bisabolol (-)-alpha-bisabolol alpha-bisabolol levomenol
hmdb:HMDB36197 keggC:M_C09621 seedM:M_cpd06515	secondary/obsolete/fantasy identifier