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

marneral

Properties Image MNX_ID MNXM5216 reference chebi:63465 formula C30H50O global charge 0 mol weight 426.729 InChIKey VNBRFEUEYRHQBM-OPEBEUCHSA-N InChI InChI=1S/C30H50O/c1-23(2)13-9-14-25(5)15-10-16-26(6)17-11-21-30(8)27(7)19-20-28(24(3)4)29(30)18-12-22-31/h13,15,17,22,27,29H,9-12,14,16,18-21H2,1-8H3/b25-15+,26-17+/t27-,29-,30-/m1/s1 SMILES CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)[C@H](C)CCC(=C(C)C)[C@H]1CCC=O MNX internals InChI (mnx) InChI=1/C30H50O/c1-23(2)13-9-14-25(5)15-10-16-26(6)17-11-21-30(8)27(7)19-20-28(24(3)4)29(30)18-12-22-31/h13,15,17,22,27,29H,9-12,14,16,18-21H2,1-8H3/b25-15+,26-17+/t27-,29-,30-/m1/s1 SMILES (mnx) [C@@H:1]1([CH3:8])[CH2:2][CH2:4]/[C:6](=[C:13](/[CH3:14])[CH3:26])[C@@H:5]([CH2:11][CH2:12][CH:27]=[CH2:28])[C@:3]1([CH2:10][CH2:9]/[CH:7]=[C:16](\[CH2:15][CH2:18]/[CH:17]=[C:20](/[CH2:19][CH2:22]/[CH:21]=[C:24](/[CH3:23])[OH:31])[CH3:30])[CH3:29])[CH3:25]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 1

Similar chemical compounds in external resources

Identifier	Description
CHEBI:63465 chebi:63465 VNBRFEUEYRHQBM-OPEBEUCHSA-N	marneral (+)-marneral 3-{(1S,2R,3R)-2,3-dimethyl-6-(propan-2-ylidene)-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]cyclohexyl}propanal
kegg.compound:C20192 keggC:C20192 VNBRFEUEYRHQBM-OPEBEUCHSA-N	Marneral
seed.compound:cpd21425 seedM:cpd21425 VNBRFEUEYRHQBM-OPEBEUCHSA-N	Marneral Cyclohexanepropanal, 2,3-dimethyl-6-(1-methylethylidene)-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-, (1S,2R,3R)- marneral
metacyc.compound:CPD-10285 metacycM:CPD-10285 VNBRFEUEYRHQBM-OPEBEUCHSA-N	marneral
keggC:M_C20192 seedM:M_cpd21425	secondary/obsolete/fantasy identifier