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3-(all-trans-octaprenyl)benzene-1,2-diol

Properties

Image

Occurences in reactions

MNX_ID

MNXM1635

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	12

formula

C₄₆H₇₀O₂

charge

mass

654.53758

reference

chebi:1233

InChIKey

YNPGYMZVNLIZLD-BQFKTQOQSA-N

InChI

InChI=1S/C46H70O2/c1-36(2)18-10-19-37(3)20-11-21-38(4)22-12-23-39(5)24-13-25-40(6)26-14-27-41(7)28-15-29-42(8)30-16-31-43(9)34-35-44-32-17-33-45(47)46(44)48/h17-18,20,22,24,26,28,30,32-34,47-48H,10-16,19,21,23,25,27,29,31,35H2,1-9H3/b37-20+,38-22+,39-24+,40-26+,41-28+,42-30+,43-34+

SMILES

CC(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/Cc1cccc(O)c1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:1233 chebi:1233	3-(all-trans-octaprenyl)benzene-1,2-diol 2-Octaprenyl-6-hydroxyphenol 3-Octaprenylcatechol 3-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]benzene-1,2-diol
bigg.metabolite:2ohph biggM:2ohph	2-Octaprenyl-6-hydroxyphenol
seed.compound:cpd03445 seedM:cpd03445	2-Octaprenyl-6-hydroxyphenol 2-octaprenyl-6-hydroxyphenol 2ohph 3-(all-trans-octaprenyl)benzene-1,2-diol 3-Octaprenylcatechol
kegg.compound:C05811 keggC:C05811	2-Octaprenyl-6-hydroxyphenol 3-Octaprenylcatechol
metacyc.compound:2-OCTAPRENYL-6-HYDROXYPHENOL metacycM:2-OCTAPRENYL-6-HYDROXYPHENOL	3-(all-trans-octaprenyl)benzene-1,2-diol 2-octaprenyl-6-hydroxyphenol
chebi:62730 biggM:M_2ohph keggC:M_C05811 seedM:M_cpd03445	secondary/obsolete/fantasy identifier