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3-demethylubiquinol-9

Properties

Image

Occurences in reactions

MNX_ID

MNXM91407

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

formula

C₅₃H₈₂O₄

charge

mass

782.62131

reference

chebi:84423

InChIKey

ALAJATOGWWBPQT-NSCWJZNLSA-N

InChI

InChI=1S/C53H82O4/c1-39(2)21-13-22-40(3)23-14-24-41(4)25-15-26-42(5)27-16-28-43(6)29-17-30-44(7)31-18-32-45(8)33-19-34-46(9)35-20-36-47(10)37-38-49-48(11)50(54)52(56)53(57-12)51(49)55/h21,23,25,27,29,31,33,35,37,54-56H,13-20,22,24,26,28,30,32,34,36,38H2,1-12H3/b40-23+,41-25+,42-27+,43-29+,44-31+,45-33+,46-35+,47-37+

SMILES

COc1c(O)c(O)c(C)c(C/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)CCC=C(C)C)c1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:84423 chebi:84423	3-demethylubiquinol-9 3-methoxy-6-methyl-5-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]benzene-1,2,4-triol
metacyc.compound:CPD-7158 metacycM:CPD-7158 seed.compound:cpd24737 seedM:cpd24737	3-demethylubiquinol-9
seedM:M_cpd24737	secondary/obsolete/fantasy identifier