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elisabethatriene

PropertiesImage
MNX_IDMNXM5147 Image of MNXM5147
referencechebi:52461
formulaC20H32
global charge0
mol weight272.476
InChIKeyDTMNMDQQDKQKIE-INDMIFKZSA-N
InChIInChI=1S/C20H32/c1-14(2)7-6-8-16(4)19-12-10-17(5)18-11-9-15(3)13-20(18)19/h7,13,16-19H,3,6,8-12H2,1-2,4-5H3/t16-,17-,18+,19+/m0/s1
SMILESC=C1C=C2[C@H](CC1)[C@@H](C)CC[C@@H]2[C@@H](C)CCC=C(C)C
MNX internals
InChI (mnx)InChI=1/C20H32/c1-14(2)7-6-8-16(4)19-12-10-17(5)18-11-9-15(3)13-20(18)19/h7,13,16-19H,3,6,8-12H2,1-2,4-5H3/t16-,17-,18+,19+/m0/s1 Image of MNXM5147
SMILES (mnx)[CH3:1][C:14]([CH3:2])=[CH:7][CH2:6][CH2:8][C@H:16]([CH3:4])[C@H:19]1[CH2:12][CH2:10][C@H:17]([CH3:5])[C@H:18]2[CH2:11][CH2:9][C:15](=[CH2:3])[CH:13]=[C:20]21
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:52461
chebi:52461
lipidmaps:LMPR0104410003
lipidmapsM:LMPR0104410003
DTMNMDQQDKQKIE-INDMIFKZSA-N 		elisabethatriene
(1R,4S,4aR)-4-methyl-1-[(2S)-6-methylhept-5-en-2-yl]-7-methylidene-1,2,3,4,4a,5,6,7-octahydronaphthalene

kegg.compound:C19816
keggC:C19816
DTMNMDQQDKQKIE-INDMIFKZSA-N 		Elisabethatriene

seed.compound:cpd21059
seedM:cpd21059
DTMNMDQQDKQKIE-INDMIFKZSA-N 		Elisabethatriene
elisabethatriene

metacyc.compound:CPD-11424
metacycM:CPD-11424
DTMNMDQQDKQKIE-INDMIFKZSA-N 		elisabethatriene

keggC:M_C19816
seedM:M_cpd21059 		secondary/obsolete/fantasy identifier