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

PropertiesImage
MNX_IDMNXM8112 Image of MNXM8112
referencechebi:84496
formulaC42H61O3
global charge-1
mol weight613.947
InChIKeyPEMFGDIFKKXFRG-PYHSYOTJSA-M
InChIInChI=1S/C42H62O3/c1-32(2)15-9-16-33(3)17-10-18-34(4)19-11-20-35(5)21-12-22-36(6)23-13-24-37(7)25-14-26-38(8)27-28-39-31-40(42(44)45)29-30-41(39)43/h15,17,19,21,23,25,27,29-31,43H,9-14,16,18,20,22,24,26,28H2,1-8H3,(H,44,45)/p-1/b33-17+,34-19+,35-21+,36-23+,37-25+,38-27+
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC1=CC(C(=O)[O-])=CC=C1O
MNX internals
InChI (mnx)InChI=1/C42H62O3/c1-32(2)15-9-16-33(3)17-10-18-34(4)19-11-20-35(5)21-12-22-36(6)23-13-24-37(7)25-14-26-38(8)27-28-39-31-40(42(44)45)29-30-41(39)43/h15,17,19,21,23,25,27,29-31,43H,9-14,16,18,20,22,24,26,28H2,1-8H3,(H,44,45)/b33-17+,34-19+,35-21+,36-23+,37-25+,38-27+ Image of MNXM8112
SMILES (mnx)[CH3:1][C:32]([CH3:2])=[CH:15][CH2:9][CH2:16]/[C:33]([CH3:3])=[CH:17]/[CH2:10][CH2:18]/[C:34]([CH3:4])=[CH:19]/[CH2:11][CH2:20]/[C:35]([CH3:5])=[CH:21]/[CH2:12][CH2:22]/[C:36]([CH3:6])=[CH:23]/[CH2:13][CH2:24]/[C:37]([CH3:7])=[CH:25]/[CH2:14][CH2:26]/[C:38]([CH3:8])=[CH:27]/[CH2:28][C:39]1=[C:41]([OH:43])[CH:30]=[CH:29][C:40]([C:42]([OH:44])=[O:45])=[CH:31]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:84496
chebi:84496
PEMFGDIFKKXFRG-PYHSYOTJSA-M 		4-hydroxy-3-(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-hydroxybenzoate
4-hydroxy-3-all-trans-heptaprenylbenzoate

seed.compound:cpd25872
seedM:cpd25872
PEMFGDIFKKXFRG-PYHSYOTJSA-M 		3-heptaprenyl-4-hydroxybenzoate

CHEBI:84494
chebi:84494
PEMFGDIFKKXFRG-PYHSYOTJSA-N 		4-hydroxy-3-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-hydroxybenzoic acid

metacyc.compound:CPD-9852
metacycM:CPD-9852
PEMFGDIFKKXFRG-PYHSYOTJSA-M 		4-hydroxy-3-heptaprenylbenzoate
3-heptaprenyl-4-hydroxybenzoate

seedM:M_cpd25872 		secondary/obsolete/fantasy identifier