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4-hydroxy-3-all-trans-octaprenylbenzoate

Properties

Image

Occurences in reactions

MNX_ID

MNXM2195

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	5

formula

C₄₇H₆₉O₃

charge

-1

mass

681.52522

reference

chebi:1617

InChIKey

UTIBHEBNILDQKX-LQOKPSQISA-M

InChI

InChI=1S/C47H70O3/c1-36(2)17-10-18-37(3)19-11-20-38(4)21-12-22-39(5)23-13-24-40(6)25-14-26-41(7)27-15-28-42(8)29-16-30-43(9)31-32-44-35-45(47(49)50)33-34-46(44)48/h17,19,21,23,25,27,29,31,33-35,48H,10-16,18,20,22,24,26,28,30,32H2,1-9H3,(H,49,50)/p-1/b37-19+,38-21+,39-23+,40-25+,41-27+,42-29+,43-31+

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(C(=O)[O-])ccc1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:1617 chebi:1617	4-hydroxy-3-all-trans-octaprenylbenzoate 3-Octaprenyl-4-hydroxybenzoate 4-Hydroxy-3-octaprenylbenzoate 4-hydroxy-3-[(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]benzoate 4-hydroxy-3-octaprenylbenzoate
bigg.metabolite:3ophb biggM:3ophb	3-Octaprenyl-4-hydroxybenzoate
seed.compound:cpd03443 seedM:cpd03443	3-Octaprenyl-4-hydroxybenzoate 3-octaprenyl-4-hydroxybenzoate 3ophb 4-Hydroxy-3-octaprenylbenzoate
kegg.compound:C05809 keggC:C05809	3-Octaprenyl-4-hydroxybenzoate 4-Hydroxy-3-octaprenylbenzoate
metacyc.compound:3-OCTAPRENYL-4-HYDROXYBENZOATE metacycM:3-OCTAPRENYL-4-HYDROXYBENZOATE	4-hydroxy-3-octaprenylbenzoate 3-octaprenyl-4-hydroxybenzoate
CHEBI:50116 chebi:50116	4-hydroxy-3-octaprenylbenzoic acid 4-hydroxy-3-[(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]benzoic acid
biggM:M_3ophb keggC:M_C05809 seedM:M_cpd03443	secondary/obsolete/fantasy identifier