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

Properties

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Occurences in reactions

MNX_ID

MNXM10070

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

formula

C₅₃H₇₉O₄

charge

-1

mass

779.59838

reference

chebi:62791

InChIKey

FDPPBYXDOXRDHA-JSGWLJPKSA-M

InChI

InChI=1S/C53H80O4/c1-40(2)20-12-21-41(3)22-13-23-42(4)24-14-25-43(5)26-15-27-44(6)28-16-29-45(7)30-17-31-46(8)32-18-33-47(9)34-19-35-48(10)36-37-49-38-50(53(55)56)39-51(57-11)52(49)54/h20,22,24,26,28,30,32,34,36,38-39,54H,12-19,21,23,25,27,29,31,33,35,37H2,1-11H3,(H,55,56)/p-1/b41-22+,42-24+,43-26+,44-28+,45-30+,46-32+,47-34+,48-36+

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)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:62791 chebi:62791	3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate 3-methoxy-4-hydroxy-5-nonaprenylbenzoate 3-nonaprenyl-4-hydroxy-5-methoxybenzoate 4-hydroxy-3-methoxy-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]benzoate 4-hydroxy-3-methoxy-5-nonaprenylbenzoate all-trans-3-nonaprenyl-4-hydroxy-5-methoxybenzoate all-trans-4-hydroxy-3-methoxy-5-nonaprenylbenzoate
seed.compound:cpd25897 seedM:cpd25897	3-(3,7,11,15,19,23-nonamethyltetracosa-2,6,10,14,18,22-hexaenyl) -4-hydroxy-5-methoxy-benzoic acid 3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate 3-methoxy-4-hydroxy-5-nonaprenylbenzoate 3-nonaprenyl-4-hydroxy-5-methoxybenzoate
metacyc.compound:CPD-9898 metacycM:CPD-9898	3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate 3-(3,7,11,15,19,23-nonamethyltetracosa-2,6,10,14,18,22-hexaenyl) -4-hydroxy-5-methoxy-benzoic acid 3-methoxy-4-hydroxy-5-nonaprenylbenzoate 3-nonaprenyl-4-hydroxy-5-methoxybenzoate
CHEBI:62790 chebi:62790	3-nonaprenyl-4-hydroxy-5-methoxybenzoic acid 3-(3,7,11,15,19,23-nonamethyltetracosa-2,6,10,14,18,22-hexaenyl) -4-hydroxy-5-methoxy-benzoic acid 4-hydroxy-3-methoxy-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]benzoic acid 4-hydroxy-3-methoxy-5-nonaprenylbenzoic acid all-trans-3-nonaprenyl-4-hydroxy-5-methoxybenzoic acid all-trans-4-hydroxy-3-methoxy-5-nonaprenylbenzoic acid
seedM:M_cpd25897	secondary/obsolete/fantasy identifier