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

PropertiesImage
MNX_IDMNXM3166 Image of MNXM3166
referencechebi:57916
formulaC38H55O4
global charge-1
mol weight575.854
InChIKeyYSZSVGFMAJXGMQ-FRICUITQSA-M
InChIInChI=1S/C38H56O4/c1-28(2)14-9-15-29(3)16-10-17-30(4)18-11-19-31(5)20-12-21-32(6)22-13-23-33(7)24-25-34-26-35(38(40)41)27-36(42-8)37(34)39/h14,16,18,20,22,24,26-27,39H,9-13,15,17,19,21,23,25H2,1-8H3,(H,40,41)/p-1/b29-16+,30-18+,31-20+,32-22+,33-24+
SMILESCOC1=CC(C(=O)[O-])=CC(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)=C1O
MNX internals
InChI (mnx)InChI=1/C38H56O4/c1-28(2)14-9-15-29(3)16-10-17-30(4)18-11-19-31(5)20-12-21-32(6)22-13-23-33(7)24-25-34-26-35(38(40)41)27-36(42-8)37(34)39/h14,16,18,20,22,24,26-27,39H,9-13,15,17,19,21,23,25H2,1-8H3,(H,40,41)/b29-16+,30-18+,31-20+,32-22+,33-24+ Image of MNXM3166
SMILES (mnx)[CH3:1][C:28]([CH3:2])=[CH:14][CH2:9][CH2:15]/[C:29]([CH3:3])=[CH:16]/[CH2:10][CH2:17]/[C:30]([CH3:4])=[CH:18]/[CH2:11][CH2:19]/[C:31]([CH3:5])=[CH:20]/[CH2:12][CH2:21]/[C:32]([CH3:6])=[CH:22]/[CH2:13][CH2:23]/[C:33]([CH3:7])=[CH:24]/[CH2:25][C:34]1=[CH:26][C:35]([C:38](=[O:40])[OH:41])=[CH:27][C:36]([O:42][CH3:8])=[C:37]1[OH:39]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57916
chebi:57916
YSZSVGFMAJXGMQ-FRICUITQSA-M 		4-hydroxy-3-methoxy-5-(all-trans-hexaprenyl)benzoate
3-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]-4-hydroxy-5-methoxybenzoate
3-hexaprenyl-4-hydroxy-5-methoxybenzoate
3-hexaprenyl-4-hydroxy-5-methoxybenzoate anion
3-hexaprenyl-4-hydroxy-5-methoxybenzoate(1-)

bigg.metabolite:3hph5mb
biggM:3hph5mb 		3 Hexaprenyl 4 hydroxy 5 methoxybenzoate

kegg.compound:C05313
keggC:C05313
YSZSVGFMAJXGMQ-FRICUITQSA-N 		3-Hexaprenyl-4-hydroxy-5-methoxybenzoate

seed.compound:cpd03151
seedM:cpd03151
YSZSVGFMAJXGMQ-FRICUITQSA-M 		3-Hexaprenyl-4-hydroxy-5-methoxybenzoate
3-(3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl) -4-hydroxy-5-methoxy-benzoic acid
3-hexaprenyl-4-hydroxy-5-methoxybenzoate
3-methoxy-4-hydroxy-5-all-trans-hexaprenylbenzoate
3-methoxy-4-hydroxy-5-hexaprenylbenzoate
3hph5mb

lipidmaps:LMPR02010044
lipidmapsM:LMPR02010044
YSZSVGFMAJXGMQ-FRICUITQSA-N 		3-Hexaprenyl-4-hydroxy-5-methoxybenzoic acid
hmdb:HMDB0000977
YSZSVGFMAJXGMQ-FRICUITQSA-N 		3-Hexaprenyl-4-hydroxy-5-methoxybenzoic acid
3-Hexaprenyl-4-hydroxy-5-methoxybenzoate
3-MHHB
3-Methoxy-4-hydroxy-5-hexaprenylbenzoate
3-Methoxy-4-hydroxy-5-hexaprenylbenzoic acid
3-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]-4-hydroxy-5-methoxybenzoic acid
3-mhhb
Hexaprenyl-4-hydroxy-5-methoxybenzoate
Hexaprenyl-4-hydroxy-5-methoxybenzoic acid

metacyc.compound:CPD-21769
metacycM:CPD-21769
YSZSVGFMAJXGMQ-FRICUITQSA-M 		3-all trans-hexaprenyl-4-hydroxy-5-methoxybenzoate
3-(3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl) -4-hydroxy-5-methoxy-benzoic acid
3-hexaprenyl-4-hydroxy-5-methoxybenzoate
3-hexaprenyl-4-hydroxy-5-methoxybenzoic acid
3-methoxy-4-hydroxy-5-all-trans-hexaprenylbenzoate
3-methoxy-4-hydroxy-5-hexaprenylbenzoate

CHEBI:16835
chebi:16835
YSZSVGFMAJXGMQ-FRICUITQSA-N 		3-hexaprenyl-4-hydroxy-5-methoxybenzoic acid
3-Hexaprenyl-4-hydroxy-5-methoxybenzoate
3-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]-4-hydroxy-5-methoxybenzoic acid
hmdb:HMDB0304136
YSZSVGFMAJXGMQ-FRICUITQSA-M 		3-methoxy-4-hydroxy-5-all-trans-hexaprenylbenzoate
3-Hexaprenyl-4-hydroxy-5-methoxybenzoate anion
3-Hexaprenyl-4-hydroxy-5-methoxybenzoate(1-)
3-Hexaprenyl-4-hydroxy-5-methoxybenzoic acid
3-Hexaprenyl-4-hydroxy-5-methoxybenzoic acid anion
3-Hexaprenyl-4-hydroxy-5-methoxybenzoic acid(1-)
3-Methoxy-4-hydroxy-5-all-trans-hexaprenylbenzoate
3-Methoxy-4-hydroxy-5-all-trans-hexaprenylbenzoic acid
4-carboxy-2-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]-6-methoxybenzen-1-olate
4-carboxy-2-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]-6-methoxybenzenolate

hmdb:HMDB00977
chebi:11799
chebi:1510
chebi:20028
biggM:M_3hph5mb
keggC:M_C05313
seedM:M_cpd03151 		secondary/obsolete/fantasy identifier