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3-methoxy-4-hydroxy-5-all-trans-octaprenylbenzoate

Properties

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Occurences in reactions

MNX_ID

MNXM10058

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₄₈H₇₁O₄

charge

-1

mass

711.53578

reference

chebi:84456

InChIKey

DZWHYPVPTJPQQX-MYCGWMCTSA-M

InChI

InChI=1S/C48H72O4/c1-36(2)18-11-19-37(3)20-12-21-38(4)22-13-23-39(5)24-14-25-40(6)26-15-27-41(7)28-16-29-42(8)30-17-31-43(9)32-33-44-34-45(48(50)51)35-46(52-10)47(44)49/h18,20,22,24,26,28,30,32,34-35,49H,11-17,19,21,23,25,27,29,31,33H2,1-10H3,(H,50,51)/p-1/b37-20+,38-22+,39-24+,40-26+,41-28+,42-30+,43-32+

SMILES

COc1cc(C(=O)[O-])cc(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)CCC=C(C)C)c1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:84456 chebi:84456	3-methoxy-4-hydroxy-5-all-trans-octaprenylbenzoate 3-all-trans-hexaprenyl-4-hydroxy-5-methoxybenzoate 4-hydroxy-3-methoxy-5-[(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
seed.compound:cpd25898 seedM:cpd25898	3-(3,7,11,15,19,23-octamethyltetracosa-2,6,10,14,18,22-hexaenyl) -4-hydroxy-5-methoxy-benzoic acid 3-methoxy-4-hydroxy-5-all-trans-octaprenylbenzoate 3-methoxy-4-hydroxy-5-octaprenylbenzoate 3-octaprenyl-4-hydroxy-5-methoxybenzoate
metacyc.compound:CPD-9899 metacycM:CPD-9899	3-methoxy-4-hydroxy-5-all-trans-octaprenylbenzoate 3-(3,7,11,15,19,23-octamethyltetracosa-2,6,10,14,18,22-hexaenyl) -4-hydroxy-5-methoxy-benzoic acid 3-methoxy-4-hydroxy-5-octaprenylbenzoate 3-octaprenyl-4-hydroxy-5-methoxybenzoate
CHEBI:84455 chebi:84455	3-methoxy-4-hydroxy-5-all-trans-octaprenylbenzoic acid 3-all-trans-octaprenyl-4-hydroxy-5-methoxybenzoic acid 4-hydroxy-3-methoxy-5-[(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
seedM:M_cpd25898	secondary/obsolete/fantasy identifier