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

PropertiesImage
MNX_IDMNXM10058 Image of MNXM10058
referencechebi:84456
formulaC48H71O4
global charge-1
mol weight712.092
InChIKeyDZWHYPVPTJPQQX-MYCGWMCTSA-M
InChIInChI=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+
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)CCC=C(C)C)=CC(C(=O)[O-])=C1
MNX internals
InChI (mnx)InChI=1/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)/b37-20+,38-22+,39-24+,40-26+,41-28+,42-30+,43-32+ Image of MNXM10058
SMILES (mnx)[CH3:1][C:36]([CH3:2])=[CH:18][CH2:11][CH2:19]/[C:37]([CH3:3])=[CH:20]/[CH2:12][CH2:21]/[C:38]([CH3:4])=[CH:22]/[CH2:13][CH2:23]/[C:39]([CH3:5])=[CH:24]/[CH2:14][CH2:25]/[C:40]([CH3:6])=[CH:26]/[CH2:15][CH2:27]/[C:41]([CH3:7])=[CH:28]/[CH2:16][CH2:29]/[C:42]([CH3:8])=[CH:30]/[CH2:17][CH2:31]/[C:43]([CH3:9])=[CH:32]/[CH2:33][C:44]1=[CH:34][C:45]([C:48](=[O:50])[OH:51])=[CH:35][C:46]([O:52][CH3:10])=[C:47]1[OH:49]
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:84456
chebi:84456
DZWHYPVPTJPQQX-MYCGWMCTSA-M 		4-hydroxy-3-methoxy-5-(all-trans-octaprenyl)benzoate
3-all-trans-hexaprenyl-4-hydroxy-5-methoxybenzoate
3-methoxy-4-hydroxy-5-all-trans-octaprenylbenzoate
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
DZWHYPVPTJPQQX-MYCGWMCTSA-M 		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
DZWHYPVPTJPQQX-MYCGWMCTSA-M 		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
hmdb:HMDB0304138
DZWHYPVPTJPQQX-MYCGWMCTSA-M 		3-methoxy-4-hydroxy-5-all-trans-octaprenylbenzoate
3-Methoxy-4-hydroxy-5-all-trans-octaprenylbenzoic acid
3-all-trans-Hexaprenyl-4-hydroxy-5-methoxybenzoate
3-all-trans-Hexaprenyl-4-hydroxy-5-methoxybenzoic acid
4-carboxy-2-methoxy-6-[(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]benzen-1-olate
4-carboxy-2-methoxy-6-[(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]benzenolate

CHEBI:84455
chebi:84455
DZWHYPVPTJPQQX-MYCGWMCTSA-N 		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