Feedback

marneral

Properties

Image

Occurences in reactions

MNX_ID

MNXM5216

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

formula

C₃₀H₅₀O

charge

mass

426.38617

reference

chebi:63465

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](CCC=O)C(=C(C)C)CC[C@H]1C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:63465 chebi:63465	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	Marneral
seed.compound:cpd21425 seedM:cpd21425	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	marneral
keggC:M_C20192 seedM:M_cpd21425	secondary/obsolete/fantasy identifier