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2-demethylmenaquinol-8

Properties

Image

Occurences in reactions

MNX_ID

MNXM558

	#reac
in my sandbox	0
in MNXref (generic)	36
in models (compartimentalized)	23

formula

C₅₀H₇₂O₂

charge

mass

705.10548

reference

chebi:61873

InChIKey

FGYPGICSXJEKCG-AENDIINCSA-N

InChI

InChI=1S/C50H72O2/c1-38(2)19-12-20-39(3)21-13-22-40(4)23-14-24-41(5)25-15-26-42(6)27-16-28-43(7)29-17-30-44(8)31-18-32-45(9)35-36-46-37-49(51)47-33-10-11-34-48(47)50(46)52/h10-11,19,21,23,25,27,29,31,33-35,37,51-52H,12-18,20,22,24,26,28,30,32,36H2,1-9H3/b39-21+,40-23+,41-25+,42-27+,43-29+,44-31+,45-35+

SMILES

CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1cc(O)c2ccccc2c1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:61873 chebi:61873	2-demethylmenaquinol-8 2-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]naphthalene-1,4-diol DMKH2-8 demethylmenaquinol-8
bigg.metabolite:2dmmql8 biggM:2dmmql8	2-Demethylmenaquinol 8
seed.compound:cpd15353 seedM:cpd15353	2-Demethylmenaquinol 8 2-demethylmenaquinol-8 2dmmql8 DMKH2-8 demethylmenaquinol-8
metacyc.compound:CPD-12115 metacycM:CPD-12115	demethylmenaquinol-8 2-demethylmenaquinol-8 DMKH2-8
biggM:M_2dmmql8 seedM:M_cpd15353	secondary/obsolete/fantasy identifier