**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

elisabethatriene

Properties Image MNX_ID MNXM5147 reference chebi:52461 formula C20H32 global charge 0 mol weight 272.476 InChIKey DTMNMDQQDKQKIE-INDMIFKZSA-N InChI InChI=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 SMILES C=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 SMILES (mnx) [CH2:1]1[CH2:2][C:3](=[CH2:20])[CH:4]=[C:5]2[C@H:6]1[C@@H:7]([CH3:18])[CH2:10][CH2:9][C@H:8]2[C@@H:12]([CH2:11][CH2:13]/[CH:14]=[C:15](\[CH3:16])[CH3:17])[CH3:19]

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

Identifier	Description
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