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2-all-trans-decaprenylphenol

PropertiesImage
MNX_IDMNXM9810 Image of MNXM9810
referencechebi:84511
formulaC56H86O
global charge0
mol weight775.303
InChIKeyITHUBQNZOUHCMG-GBBROCKZSA-N
InChIInChI=1S/C56H86O/c1-45(2)23-14-24-46(3)25-15-26-47(4)27-16-28-48(5)29-17-30-49(6)31-18-32-50(7)33-19-34-51(8)35-20-36-52(9)37-21-38-53(10)39-22-40-54(11)43-44-55-41-12-13-42-56(55)57/h12-13,23,25,27,29,31,33,35,37,39,41-43,57H,14-22,24,26,28,30,32,34,36,38,40,44H2,1-11H3/b46-25+,47-27+,48-29+,49-31+,50-33+,51-35+,52-37+,53-39+,54-43+
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/CC/C(C)=C/CC1=CC=CC=C1O
MNX internals
InChI (mnx)InChI=1/C56H86O/c1-45(2)23-14-24-46(3)25-15-26-47(4)27-16-28-48(5)29-17-30-49(6)31-18-32-50(7)33-19-34-51(8)35-20-36-52(9)37-21-38-53(10)39-22-40-54(11)43-44-55-41-12-13-42-56(55)57/h12-13,23,25,27,29,31,33,35,37,39,41-43,57H,14-22,24,26,28,30,32,34,36,38,40,44H2,1-11H3/b46-25+,47-27+,48-29+,49-31+,50-33+,51-35+,52-37+,53-39+,54-43+ Image of MNXM9810
SMILES (mnx)[CH3:1][C:45]([CH3:2])=[CH:23][CH2:14][CH2:24]/[C:46]([CH3:3])=[CH:25]/[CH2:15][CH2:26]/[C:47]([CH3:4])=[CH:27]/[CH2:16][CH2:28]/[C:48]([CH3:5])=[CH:29]/[CH2:17][CH2:30]/[C:49]([CH3:6])=[CH:31]/[CH2:18][CH2:32]/[C:50]([CH3:7])=[CH:33]/[CH2:19][CH2:34]/[C:51]([CH3:8])=[CH:35]/[CH2:20][CH2:36]/[C:52]([CH3:9])=[CH:37]/[CH2:21][CH2:38]/[C:53]([CH3:10])=[CH:39]/[CH2:22][CH2:40]/[C:54]([CH3:11])=[CH:43]/[CH2:44][C:55]1=[CH:41][CH:12]=[CH:13][CH:42]=[C:56]1[OH:57]
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:84511
chebi:84511
ITHUBQNZOUHCMG-GBBROCKZSA-N
2-all-trans-decaprenylphenol
2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl]phenol
2-decaprenylphenol

metacyc.compound:CPD-9862
metacycM:CPD-9862
seed.compound:cpd25879
seedM:cpd25879
ITHUBQNZOUHCMG-GBBROCKZSA-N
2-decaprenylphenol

seedM:M_cpd25879
secondary/obsolete/fantasy identifier