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2-demethylmenaquinol-12

Properties

Image

Occurences in reactions

MNX_ID

MNXM8525

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

formula

C₇₀H₁₀₄O₂

charge

mass

976.80363

reference

chebi:84551

InChIKey

NKCMHMXWLADGOV-RVHIBIGXSA-N

InChI

InChI=1S/C70H104O2/c1-54(2)27-16-28-55(3)29-17-30-56(4)31-18-32-57(5)33-19-34-58(6)35-20-36-59(7)37-21-38-60(8)39-22-40-61(9)41-23-42-62(10)43-24-44-63(11)45-25-46-64(12)47-26-48-65(13)51-52-66-53-69(71)67-49-14-15-50-68(67)70(66)72/h14-15,27,29,31,33,35,37,39,41,43,45,47,49-51,53,71-72H,16-26,28,30,32,34,36,38,40,42,44,46,48,52H2,1-13H3/b55-29+,56-31+,57-33+,58-35+,59-37+,60-39+,61-41+,62-43+,63-45+,64-47+,65-51+

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/Cc1cc(O)c2ccccc2c1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:84551 chebi:84551	2-demethylmenaquinol-12 2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E,42E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-2,6,10,14,18,22,26,30,34,38,42,46-dodecaen-1-yl]naphthalene-1,4-diol DMKH2-12 demethylmenaquinol-12
seed.compound:cpd23253 seedM:cpd23253	demethylmenaquinol-12
metacyc.compound:CPD-12121 metacycM:CPD-12121	demethylmenaquinol-12 DMK-12
seedM:M_cpd23253	secondary/obsolete/fantasy identifier