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

MNXM91944 is deprecated and here replaced by MNXM738089
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM738089

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

formula

C₅₈H₈₇O₄

charge

-1

mass

847.66098

reference

chebi:62796

InChIKey

WCQCNOIKXGNDLX-RDSVHMIISA-M

InChI

InChI=1S/C58H88O4/c1-44(2)22-13-23-45(3)24-14-25-46(4)26-15-27-47(5)28-16-29-48(6)30-17-31-49(7)32-18-33-50(8)34-19-35-51(9)36-20-37-52(10)38-21-39-53(11)40-41-54-42-55(58(60)61)43-56(62-12)57(54)59/h22,24,26,28,30,32,34,36,38,40,42-43,59H,13-21,23,25,27,29,31,33,35,37,39,41H2,1-12H3,(H,60,61)/p-1/b45-24+,46-26+,47-28+,48-30+,49-32+,50-34+,51-36+,52-38+,53-40+

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)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:62796 chebi:62796	3-methoxy-4-hydroxy-5-all-trans-decaprenylbenzoate 3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl]-4-hydroxy-5-methoxybenzoate 3-decaprenyl-4-hydroxy-5-methoxybenzoate 3-methoxy-4-hydroxy-5-decaprenylbenzoate 4-hydroxy-3-methoxy-5-decaprenylbenzoate all-trans-3-decaprenyl-4-hydroxy-5-methoxybenzoate all-trans-4-hydroxy-3-methoxy-5-decaprenylbenzoate
seed.compound:cpd25896 seedM:cpd25896	3-(3,7,11,15,19,23-decamethyltetracosa-2,6,10,14,18,22-hexaenyl) -4-hydroxy-5-methoxy-benzoic acid 3-decaprenyl-4-hydroxy-5-methoxybenzoate 3-methoxy-4-hydroxy-5-all-trans-decaprenylbenzoate 3-methoxy-4-hydroxy-5-decaprenylbenzoate
bigg.metabolite:3dpdhb_me biggM:3dpdhb_me	3-Decaprenyl-4-hydroxy-5-methoxybenzoate
hmdb:HMDB0060252	3-Decaprenyl-4-hydroxy-5-methoxybenzoate 3-Decaprenyl-4-hydroxy-5-methoxybenzoic acid 3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl]-4-hydroxy-5-methoxybenzoic acid 4-Hydroxy-3-methoxy-5-decaprenylbenzoate 4-Hydroxy-3-methoxy-5-decaprenylbenzoic acid all-trans-3-Decaprenyl-4-hydroxy-5-methoxybenzoate all-trans-3-Decaprenyl-4-hydroxy-5-methoxybenzoic acid all-trans-4-Hydroxy-3-methoxy-5-decaprenylbenzoate all-trans-4-Hydroxy-3-methoxy-5-decaprenylbenzoic acid
lipidmaps:LMPR02010035 lipidmapsM:LMPR02010035	3-decaprenyl-4-hydroxy-5-methoxybenzoic acid 3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl]-4-hydroxy-5-methoxybenzoic acid
reactome:R-ALL-2162215 reactomeM:R-ALL-2162215 CHEBI:50776 chebi:50776	3-decaprenyl-4-hydroxy-5-methoxybenzoic acid 3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl]-4-hydroxy-5-methoxybenzoic acid 4-hydroxy-3-methoxy-5-decaprenylbenzoic acid all-trans-3-decaprenyl-4-hydroxy-5-methoxybenzoic acid all-trans-4-hydroxy-3-methoxy-5-decaprenylbenzoic acid
metacyc.compound:CPD-9897 metacycM:CPD-9897	3-methoxy-4-hydroxy-5-all-trans-decaprenylbenzoate 3-(3,7,11,15,19,23-decamethyltetracosa-2,6,10,14,18,22-hexaenyl) -4-hydroxy-5-methoxy-benzoic acid 3-decaprenyl-4-hydroxy-5-methoxybenzoate 3-methoxy-4-hydroxy-5-decaprenylbenzoate
hmdb:HMDB60252 biggM:M_3dpdhb_me seedM:M_cpd25896	secondary/obsolete/fantasy identifier