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(-)-geosmin

Properties

Image

Occurences in reactions

MNX_ID

MNXM1378557

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	1

formula

C₁₂H₂₂O

charge

mass

182.307

reference

InChIKey

JLPUXFOGCDVKGO-TUAOUCFPSA-N

InChI

InChI=1S/C12H22O/c1-10-6-5-8-11(2)7-3-4-9-12(10,11)13/h10,13H,3-9H2,1-2H3/t10-,11+,12-/m0/s1

SMILES

[CH3:1][C@H:10]1[CH2:6][CH2:5][CH2:8][C@@:11]2([CH3:2])[CH2:7][CH2:3][CH2:4][CH2:9][C@:12]12[OH:13]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:46702 chebi:46702	(-)-geosmin (-)-Geosmin (4S,4aS,8aR)-4,8a-dimethyloctahydronaphthalen-4a(2H)-ol (4S-(4alpha,4aalpha,8abeta))-octahydro-4,8a-dimethyl-4a(2H)-naphthol Geosmin octahydro-4alpha,8abeta-dimethyl-4aalpha(2H)-naphthol trans-1,10-Dimethyl-trans-9-decalol trans-1,10-dimethyl-trans-decalol
metacyc.compound:CPD-10158 metacycM:CPD-10158	(-)-geosmin 4,8alpha-dimethyl-octahydro-naphthalen-4alpha-ol
seed.compound:cpd15002 seedM:cpd15002	Geosmin (-)-Geosmin (-)-geosmin 4,8alpha-dimethyl-octahydro-naphthalen-4alpha-ol trans-1,10-Dimethyl-trans-9-decalol
kegg.compound:C16286 keggC:C16286	Geosmin (-)-Geosmin trans-1,10-Dimethyl-trans-9-decalol
hmdb:HMDB0036461	Geosmin 1,10-Dimethyl-9-decalol 11,12,13-Trinor-5-eudesmanol 4,8a-dimethyl-decahydronaphthalen-4a-ol 4,8a-dimethyloctahydro-4a(2H)-Naphthalenol 4,8alpha-Dimethyl-octahydro-naphthalen-4alpha-ol geosmin octahydro-4,8a-Dimethyl-4a(2H)-naphthalenol, 9ci
hmdb:HMDB36461 keggC:M_C16286 seedM:M_cpd15002	secondary/obsolete/fantasy identifier