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tuberculosinol

Properties

Image

Occurences in reactions

MNX_ID

MNXM5969

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

formula

C₂₀H₃₄O

charge

mass

290.491

reference

chebi:50387

InChIKey

VHFDWNJLUATPID-AHKHSGQUSA-N

InChI

InChI=1S/C20H34O/c1-15(11-14-21)10-13-20(5)16(2)8-9-17-18(20)7-6-12-19(17,3)4/h9,11,16,18,21H,6-8,10,12-14H2,1-5H3/b15-11+/t16-,18+,20+/m0/s1

SMILES

[CH3:1]/[C:15]([CH2:10][CH2:13][C@:20]1([CH3:5])[C@@H:16]([CH3:2])[CH2:8][CH:9]=[C:17]2[C@H:18]1[CH2:7][CH2:6][CH2:12][C:19]2([CH3:3])[CH3:4])=[CH:11]\[CH2:14][OH:21]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:50387 chebi:50387 lipidmaps:LMPR0104030005 lipidmapsM:LMPR0104030005	tuberculosinol (2E)-3-methyl-5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-ol halima-5,6-dien-15-ol
kegg.compound:C19963 keggC:C19963	Tuberculosinol
seed.compound:cpd21202 seedM:cpd21202	Tuberculosinol halima-5(6),13-dien-15-ol tuberculosinol
SLM:000390232 slm:000390232	tuberculosinol
metacyc.compound:CPD-10117 metacycM:CPD-10117	tuberculosinol halima-5(6),13-dien-15-ol
keggC:M_C19963 seedM:M_cpd21202	secondary/obsolete/fantasy identifier