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(12E)-9alpha-labda-8(17),12,14-triene

PropertiesImage
MNX_IDMNXM4898 Image of MNXM4898
referencechebi:63707
formulaC20H32
global charge0
mol weight272.476
InChIKeyVJVMMXUPZGOBSN-URKRXPPWSA-N
InChIInChI=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-/m1/s1
SMILESC=C/C(C)=C/C[C@@H]1C(=C)CC[C@H]2C(C)(C)CCC[C@]12C
MNX internals
InChI (mnx)InChI=1/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-/m1/s1 Image of MNXM4898
SMILES (mnx)[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
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:63707
chebi:63707
VJVMMXUPZGOBSN-URKRXPPWSA-N 		(12E)-9alpha-labda-8(17),12,14-triene
(4aS,5R,8aS)-1,1,4a-trimethyl-6-methylene-5-[(2E)-3-methylpenta-2,4-dien-1-yl]decahydronaphthalene
5alpha,9alpha,10beta-labda-8(17),12E,14-triene
syn-labda-8(17),12E,14-triene

seed.compound:cpd21418
seedM:cpd21418
VJVMMXUPZGOBSN-URKRXPPWSA-N 		(12E)-9alpha-Labda-8(17),12,14-triene
(12E)-9alpha-labda-8(17),12,14-triene
(4aS,5R,8aS)-1,1,4a-Trimethyl-6-methylidene-5-[(2E)-3-methylpenta-2,4-dien-1-yl]decahydronaphthalene
(4aS,5R,8aS)-1,1,4a-trimethyl-6-methylidene-5-[(2E)-3-methylpenta-2,4-dien-1-yl]decahydronaphthalene
5alpha,9alpha,10beta-labda-8(17),12E,14-triene
syn-Labda-8(17),12E,14-triene
syn-labda-8(17),12E,14-triene

kegg.compound:C20185
keggC:C20185
VJVMMXUPZGOBSN-URKRXPPWSA-N 		(12E)-9alpha-Labda-8(17),12,14-triene
(4aS,5R,8aS)-1,1,4a-Trimethyl-6-methylidene-5-[(2E)-3-methylpenta-2,4-dien-1-yl]decahydronaphthalene
syn-Labda-8(17),12E,14-triene

metacyc.compound:CPD-13868
metacycM:CPD-13868
VJVMMXUPZGOBSN-URKRXPPWSA-N 		syn-labda-8(17),12E,14-triene
(12E)-9alpha-labda-8(17),12,14-triene
(4aS,5R,8aS)-1,1,4a-trimethyl-6-methylidene-5-[(2E)-3-methylpenta-2,4-dien-1-yl]decahydronaphthalene
5alpha,9alpha,10beta-labda-8(17),12E,14-triene

keggC:M_C20185
seedM:M_cpd21418 		secondary/obsolete/fantasy identifier