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

Properties

Image

Occurences in reactions

MNX_ID

MNXM9977

	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	0

formula

C₅₁H₇₈O₂

charge

mass

722.60018

reference

chebi:84517

InChIKey

PKYZMVIVZPJXFM-XBVQZQHUSA-N

InChI

InChI=1S/C51H78O2/c1-40(2)20-11-21-41(3)22-12-23-42(4)24-13-25-43(5)26-14-27-44(6)28-15-29-45(7)30-16-31-46(8)32-17-33-47(9)34-18-35-48(10)38-39-49-36-19-37-50(52)51(49)53/h19-20,22,24,26,28,30,32,34,36-38,52-53H,11-18,21,23,25,27,29,31,33,35,39H2,1-10H3/b41-22+,42-24+,43-26+,44-28+,45-30+,46-32+,47-34+,48-38+

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/CC/C(C)=C/Cc1cccc(O)c1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:84517 chebi:84517	3-(all-trans-nonaprenyl)benzene-1,2-diol 2-nonaprenyl-6-hydroxyphenol 3-[(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]benzene-1,2-diol
seed.compound:cpd28917 seedM:cpd28917	2-nonaprenyl-6-hydroxyphenol
seed.compound:cpd16765 seedM:cpd16765	2-nonaprenyl-6-hydroxyphenol 2no6oph 3-(all-trans-nonaprenyl)benzene-1,2-diol
metacyc.compound:CPD-9868 metacycM:CPD-9868	3-(all-trans-nonaprenyl)benzene-1,2-diol 2-nonaprenyl-6-hydroxyphenol
seedM:M_cpd16765 seedM:M_cpd28917	secondary/obsolete/fantasy identifier