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(12E)-labda-8(17),12,14-triene

Properties

Image

Occurences in reactions

MNX_ID

MNXM1374389

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

formula

C₂₀H₃₂

charge

mass

272.476

reference

chebi:138302

InChIKey

VJVMMXUPZGOBSN-DIUMXTPXSA-N

InChI

InChI=1S/C20H32/c1-7-15(2)9-11-17-16(3)10-12-18-19(4,5)13-8-14-20(17,18)6/h7,9,17-18H,1,3,8,10-14H2,2,4-6H3/b15-9+/t17-,18-,20+/m0/s1

SMILES

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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:138302 chebi:138302	(12E)-labda-8(17),12,14-triene (4aS,5S,8aS)-1,1,4a-trimethyl-6-methylidene-5-[(2E)-3-methylpenta-2,4-dien-1-yl]decahydronaphthalene 5alpha,9beta,10alpha-labda-8(17),12E,14-triene 8(17),12E,14-Labdatriene
kegg.compound:C21729 keggC:C21729	(12E)-Labda-8(17),12,14-triene
seed.compound:cpd33582 seedM:cpd33582	(12E)-labda-8(17),12,14-triene 5alpha,9beta,10alpha-labda-8(17),12E,14-triene
keggC:M_C21729 seedM:M_cpd33582	secondary/obsolete/fantasy identifier