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

PropertiesImage
MNX_IDMNXM10057 Image of MNXM10057
referencechebi:84454
formulaC43H63O4
global charge-1
mol weight643.973
InChIKeyKYBJQEICWVEWIL-TUUMQRACSA-M
InChIInChI=1S/C43H64O4/c1-32(2)16-10-17-33(3)18-11-19-34(4)20-12-21-35(5)22-13-23-36(6)24-14-25-37(7)26-15-27-38(8)28-29-39-30-40(43(45)46)31-41(47-9)42(39)44/h16,18,20,22,24,26,28,30-31,44H,10-15,17,19,21,23,25,27,29H2,1-9H3,(H,45,46)/p-1/b33-18+,34-20+,35-22+,36-24+,37-26+,38-28+
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)CCC=C(C)C)=CC(C(=O)[O-])=C1
MNX internals
InChI (mnx)InChI=1/C43H64O4/c1-32(2)16-10-17-33(3)18-11-19-34(4)20-12-21-35(5)22-13-23-36(6)24-14-25-37(7)26-15-27-38(8)28-29-39-30-40(43(45)46)31-41(47-9)42(39)44/h16,18,20,22,24,26,28,30-31,44H,10-15,17,19,21,23,25,27,29H2,1-9H3,(H,45,46)/b33-18+,34-20+,35-22+,36-24+,37-26+,38-28+ Image of MNXM10057
SMILES (mnx)[CH3:1][C:32]([CH3:2])=[CH:16][CH2:10][CH2:17]/[C:33]([CH3:3])=[CH:18]/[CH2:11][CH2:19]/[C:34]([CH3:4])=[CH:20]/[CH2:12][CH2:21]/[C:35]([CH3:5])=[CH:22]/[CH2:13][CH2:23]/[C:36]([CH3:6])=[CH:24]/[CH2:14][CH2:25]/[C:37]([CH3:7])=[CH:26]/[CH2:15][CH2:27]/[C:38]([CH3:8])=[CH:28]/[CH2:29][C:39]1=[CH:30][C:40]([C:43](=[O:45])[OH:46])=[CH:31][C:41]([O:47][CH3:9])=[C:42]1[OH:44]
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:84454
chebi:84454
KYBJQEICWVEWIL-TUUMQRACSA-M 		4-hydroxy-3-methoxy-5-(all-trans-heptaprenyl)benzoate
3-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-1-yl]-4-hydroxy-5-methoxybenzoate
3-heptaprenyl-4-hydroxy-5-methoxybenzoate
3-methoxy-4-hydroxy-5-all-trans-heptaprenylbenzoate

seed.compound:cpd25900
seedM:cpd25900
KYBJQEICWVEWIL-TUUMQRACSA-M 		3-(3,7,11,15,19,23-heptamethyltetracosa-2,6,10,14,18,22-hexaenyl) -4-hydroxy-5-methoxy-benzoic acid
3-heptaprenyl-4-hydroxy-5-methoxybenzoate
3-methoxy-4-hydroxy-5-all-trans-heptaprenylbenzoate
3-methoxy-4-hydroxy-5-heptaprenylbenzoate

metacyc.compound:CPD-9904
metacycM:CPD-9904
KYBJQEICWVEWIL-TUUMQRACSA-M 		3-methoxy-4-hydroxy-5-all-trans-heptaprenylbenzoate
3-(3,7,11,15,19,23-heptamethyltetracosa-2,6,10,14,18,22-hexaenyl) -4-hydroxy-5-methoxy-benzoic acid
3-heptaprenyl-4-hydroxy-5-methoxybenzoate
3-methoxy-4-hydroxy-5-heptaprenylbenzoate
hmdb:HMDB0304135
KYBJQEICWVEWIL-TUUMQRACSA-M 		3-methoxy-4-hydroxy-5-all-trans-heptaprenylbenzoate
3-Heptaprenyl-4-hydroxy-5-methoxybenzoate
3-Heptaprenyl-4-hydroxy-5-methoxybenzoic acid
3-Methoxy-4-hydroxy-5-all-trans-heptaprenylbenzoic acid
4-carboxy-2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-1-yl]-6-methoxybenzen-1-olate
4-carboxy-2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-1-yl]-6-methoxybenzenolate

CHEBI:84453
chebi:84453
KYBJQEICWVEWIL-TUUMQRACSA-N 		3-methoxy-4-hydroxy-5-all-trans-heptaprenylbenzoic acid
3-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-1-yl]-4-hydroxy-5-methoxybenzoic acid

seedM:M_cpd25900 		secondary/obsolete/fantasy identifier