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3,4-dihydroxy-5-(all-trans-nonaprenyl)benzoate

PropertiesImage
MNX_IDMNXM10069 Image of MNXM10069
referencechebi:62789
formulaC52H77O4
global charge-1
mol weight766.184
InChIKeyFMSCZYMOUYOENK-OPSRSWOASA-M
InChIInChI=1S/C52H78O4/c1-39(2)19-11-20-40(3)21-12-22-41(4)23-13-24-42(5)25-14-26-43(6)27-15-28-44(7)29-16-30-45(8)31-17-32-46(9)33-18-34-47(10)35-36-48-37-49(52(55)56)38-50(53)51(48)54/h19,21,23,25,27,29,31,33,35,37-38,53-54H,11-18,20,22,24,26,28,30,32,34,36H2,1-10H3,(H,55,56)/p-1/b40-21+,41-23+,42-25+,43-27+,44-29+,45-31+,46-33+,47-35+
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/CC/C(C)=C/CC/C(C)=C/CC1=CC(C(=O)[O-])=CC(O)=C1O
MNX internals
InChI (mnx)InChI=1/C52H78O4/c1-39(2)19-11-20-40(3)21-12-22-41(4)23-13-24-42(5)25-14-26-43(6)27-15-28-44(7)29-16-30-45(8)31-17-32-46(9)33-18-34-47(10)35-36-48-37-49(52(55)56)38-50(53)51(48)54/h19,21,23,25,27,29,31,33,35,37-38,53-54H,11-18,20,22,24,26,28,30,32,34,36H2,1-10H3,(H,55,56)/b40-21+,41-23+,42-25+,43-27+,44-29+,45-31+,46-33+,47-35+ Image of MNXM10069
SMILES (mnx)[CH3:1][C:39]([CH3:2])=[CH:19][CH2:11][CH2:20]/[C:40]([CH3:3])=[CH:21]/[CH2:12][CH2:22]/[C:41]([CH3:4])=[CH:23]/[CH2:13][CH2:24]/[C:42]([CH3:5])=[CH:25]/[CH2:14][CH2:26]/[C:43]([CH3:6])=[CH:27]/[CH2:15][CH2:28]/[C:44]([CH3:7])=[CH:29]/[CH2:16][CH2:30]/[C:45]([CH3:8])=[CH:31]/[CH2:17][CH2:32]/[C:46]([CH3:9])=[CH:33]/[CH2:18][CH2:34]/[C:47]([CH3:10])=[CH:35]/[CH2:36][C:48]1=[CH:37][C:49]([C:52](=[O:55])[OH:56])=[CH:38][C:50]([OH:53])=[C:51]1[OH:54]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:62789
chebi:62789
FMSCZYMOUYOENK-OPSRSWOASA-M 		3,4-dihydroxy-5-(all-trans-nonaprenyl)benzoate
3,4-dihydroxy-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
3,4-dihydroxy-5-nonaprenylbenzoate
3-nonaprenyl-4,5-dihydroxybenzoate
all-trans-3,4-dihydroxy-5-nonaprenylbenzoate
all-trans-3-nonaprenyl-4,5-dihydroxybenzoate

metacyc.compound:CPD-9896
metacycM:CPD-9896
seed.compound:cpd25895
seedM:cpd25895
FMSCZYMOUYOENK-OPSRSWOASA-M 		3,4-dihydroxy-5-all-trans-nonaprenylbenzoate
3-(3,7,11,15,19,23-nonamethyltetracosa-2,6,10,14,18,22-hexaenyl) -4,5-dihydroxy-benzoic acid
3-nonaprenyl-4,5-dihydroxybenzoate

CHEBI:62788
chebi:62788
FMSCZYMOUYOENK-OPSRSWOASA-N 		3-nonaprenyl-4,5-dihydroxybenzoic acid
3,4-dihydroxy-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
3,4-dihydroxy-5-nonaprenylbenzoic acid
3-(3,7,11,15,19,23,27,31,35-nonamethyltetracosa-2,6,10,14,18,22,26,30,34-nonaenyl)-4,5-dihydroxybenzoic acid
all-trans-3,4-dihydroxy-5-nonaprenylbenzoic acid
all-trans-3-nonaprenyl-4,5-dihydroxybenzoic acid

seedM:M_cpd25895 		secondary/obsolete/fantasy identifier