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patchoulol

Properties

Image

Occurences in reactions

MNX_ID

MNXM1375269

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

formula

C₁₅H₂₆O

charge

mass

222.372

reference

InChIKey

GGHMUJBZYLPWFD-CUZKYEQNSA-N

InChI

InChI=1S/C15H26O/c1-10-5-8-15(16)13(2,3)11-6-7-14(15,4)12(10)9-11/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14-,15+/m0/s1

SMILES

[CH3:1][C@H:10]1[CH2:5][CH2:8][C@@:15]2([OH:16])[C:13]([CH3:2])([CH3:3])[C@@H:11]3[CH2:6][CH2:7][C@@:14]2([CH3:4])[C@H:12]1[CH2:9]3

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:7940 chebi:7940	patchoulol (-)-(1R,3R,6S,7S,8S)-2,2,6,8-tetramethyltricyclo[5.3.1.0(3,8)]undecan-3-ol (-)-patchouli alcohol (-)-patchoulol (1R,4S,4aS,6R,8aS)-4,8a,9,9-tetramethyloctahydro-1,6-methanonaphthalen-1(2H)-ol Patchouli alcohol [1R-(1alpha,4beta,4aalpha,6beta,8aalpha)]-octahydro-4,8a,9,9-tetramethyl-1,6-methano-1(2H)-naphthol patchoulanol patchouli alcohol patchouli camphor patchoulic alcohol
kegg.compound:C09705 keggC:C09705	Patchouli alcohol
seed.compound:cpd06598 seedM:cpd06598	Patchouli alcohol (-)-patchoulol patchouli alcohol
hmdb:HMDB0303114	Patchouli alcohol (6S,8S)-2,2,6,8-tetramethyltricyclo[5.3.1.0³,⁸]undecan-3-ol patchoulol
seed.compound:cpd21001 seedM:cpd21001 kegg.compound:C19755 keggC:C19755	Patchoulol
keggC:M_C09705 keggC:M_C19755 seedM:M_cpd06598 seedM:M_cpd21001	secondary/obsolete/fantasy identifier