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4-hydroxy-3-methoxy-(5-all-trans-nonaprenyl)benzoate

PropertiesImage
MNX_IDMNXM10070 Image of MNXM10070
referencechebi:62791
formulaC53H79O4
global charge-1
mol weight780.211
InChIKeyFDPPBYXDOXRDHA-JSGWLJPKSA-M
InChIInChI=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+
SMILESCOC1=C(O)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)=CC(C(=O)[O-])=C1
MNX internals
InChI (mnx)InChI=1/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)/b41-22+,42-24+,43-26+,44-28+,45-30+,46-32+,47-34+,48-36+ Image of MNXM10070
SMILES (mnx)[CH3:1][C:40]([CH3:2])=[CH:20][CH2:12][CH2:21]/[C:41]([CH3:3])=[CH:22]/[CH2:13][CH2:23]/[C:42]([CH3:4])=[CH:24]/[CH2:14][CH2:25]/[C:43]([CH3:5])=[CH:26]/[CH2:15][CH2:27]/[C:44]([CH3:6])=[CH:28]/[CH2:16][CH2:29]/[C:45]([CH3:7])=[CH:30]/[CH2:17][CH2:31]/[C:46]([CH3:8])=[CH:32]/[CH2:18][CH2:33]/[C:47]([CH3:9])=[CH:34]/[CH2:19][CH2:35]/[C:48]([CH3:10])=[CH:36]/[CH2:37][C:49]1=[CH:38][C:50]([C:53](=[O:55])[OH:56])=[CH:39][C:51]([O:57][CH3:11])=[C:52]1[OH:54]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:62791
chebi:62791
FDPPBYXDOXRDHA-JSGWLJPKSA-M 		4-hydroxy-3-methoxy-(5-all-trans-nonaprenyl)benzoate
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
FDPPBYXDOXRDHA-JSGWLJPKSA-M 		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
FDPPBYXDOXRDHA-JSGWLJPKSA-M 		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
hmdb:HMDB0304137
FDPPBYXDOXRDHA-JSGWLJPKSA-M 		3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate
3-Methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate
3-Methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoic acid
3-Methoxy-4-hydroxy-5-nonaprenylbenzoate
3-Methoxy-4-hydroxy-5-nonaprenylbenzoic acid
3-Nonaprenyl-4-hydroxy-5-methoxybenzoic acid
4-Hydroxy-3-methoxy-5-nonaprenylbenzoate
4-Hydroxy-3-methoxy-5-nonaprenylbenzoic 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]benzoate
all-trans-3-Nonaprenyl-4-hydroxy-5-methoxybenzoate
all-trans-3-Nonaprenyl-4-hydroxy-5-methoxybenzoic acid
all-trans-4-Hydroxy-3-methoxy-5-nonaprenylbenzoate
all-trans-4-Hydroxy-3-methoxy-5-nonaprenylbenzoic acid

CHEBI:62790
chebi:62790
FDPPBYXDOXRDHA-JSGWLJPKSA-N 		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