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2-demethylmenaquinol-13

Properties

Image

Occurences in reactions

MNX_ID

MNXM8526

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	0

formula

C₇₅H₁₁₂O₂

charge

mass

1044.86623

reference

chebi:84553

InChIKey

HPJVTYODWHYFMV-ZNWIKROFSA-N

InChI

InChI=1S/C75H112O2/c1-58(2)29-17-30-59(3)31-18-32-60(4)33-19-34-61(5)35-20-36-62(6)37-21-38-63(7)39-22-40-64(8)41-23-42-65(9)43-24-44-66(10)45-25-46-67(11)47-26-48-68(12)49-27-50-69(13)51-28-52-70(14)55-56-71-57-74(76)72-53-15-16-54-73(72)75(71)77/h15-16,29,31,33,35,37,39,41,43,45,47,49,51,53-55,57,76-77H,17-28,30,32,34,36,38,40,42,44,46,48,50,52,56H2,1-14H3/b59-31+,60-33+,61-35+,62-37+,63-39+,64-41+,65-43+,66-45+,67-47+,68-49+,69-51+,70-55+

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/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:84553 chebi:84553	2-demethylmenaquinol-13 2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E,42E,46E)-3,7,11,15,19,23,27,31,35,39,43,47,51-tridecamethyldopentaconta-2,6,10,14,18,22,26,30,34,38,42,46,50-tridecaen-1-yl]naphthalene-1,4-diol DMKH2-13 demethylmenaquinol-13
seed.compound:cpd23254 seedM:cpd23254	DMKH2-13 demethylmenaquinol-13
metacyc.compound:CPD-12122 metacycM:CPD-12122	demethylmenaquinol-13 DMKH2-13
seedM:M_cpd23254	secondary/obsolete/fantasy identifier