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

taraxerol

Properties Image MNX_ID MNXM733670 reference chebi:9402 formula C30H50O global charge 0 mol weight 426.729 InChIKey GGGUGZHBAOMSFJ-GADYQYKKSA-N InChI InChI=1S/C30H50O/c1-25(2)17-18-27(5)13-9-21-29(7)14-10-20-26(3,4)24(31)12-16-28(20,6)22(29)11-15-30(21,8)23(27)19-25/h9,20,22-24,31H,10-19H2,1-8H3/t20-,22+,23+,24-,27-,28-,29-,30+/m0/s1 SMILES CC1(C)CC[C@]2(C)CC=C3[C@]4(C)CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1 MNX internals InChI (mnx) InChI=1/C30H50O/c1-25(2)17-18-27(5)13-9-21-29(7)14-10-20-26(3,4)24(31)12-16-28(20,6)22(29)11-15-30(21,8)23(27)19-25/h9,20,22-24,31H,10-19H2,1-8H3/t20-,22+,23+,24-,27-,28-,29-,30+/m0/s1 SMILES (mnx) [C@:1]12([CH3:28])[C@H:2]([C:4]([CH3:23])([CH3:24])[C@@H:6]([CH3:27])[CH2:5][CH2:3]1)[CH2:9][CH2:10][C@@:8]1([OH:31])[C@@H:7]2[CH2:11][CH2:12][C@:14]2([CH3:30])[C:13]1=[CH:18][CH2:16][C@:15]1([CH3:29])[C@@H:17]2[CH2:22][C:21]([CH3:25])([CH3:26])[CH2:19][CH2:20]1

Parent-child relations graph

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

Similar chemical compounds in external resources

Identifier	Description
CHEBI:9402 chebi:9402 GGGUGZHBAOMSFJ-GADYQYKKSA-N	taraxerol (3S,4aR,6aR,8aR,12aR,12bS,14aR,14bR)-4,4,6a,8a,11,11,12b,14b-octamethyl-1,2,3,4,4a,5,6,6a,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydropicen-3-ol (3beta)-D-friedoolean-14-en-3-ol D-friedoolean-14-en-3beta-ol alnulin skimmiol tiliadin
kegg.compound:C08637 keggC:C08637 GGGUGZHBAOMSFJ-GADYQYKKSA-N	Taraxerol
seed.compound:cpd05544 seedM:cpd05544 GGGUGZHBAOMSFJ-GADYQYKKSA-N	Taraxerol D-friedoolean-14-en-3beta-ol taraxerol
metacyc.compound:CPD-10667 metacycM:CPD-10667 GGGUGZHBAOMSFJ-GADYQYKKSA-N	taraxerol D-friedoolean-14-en-3beta-ol
keggC:M_C08637 seedM:M_cpd05544	secondary/obsolete/fantasy identifier