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4-hydroxy-3-all-trans-heptaprenylbenzoate

Properties

Image

Occurences in reactions

MNX_ID

MNXM8112

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

formula

C₄₂H₆₁O₃

charge

-1

mass

613.46262

reference

chebi:84496

InChIKey

PEMFGDIFKKXFRG-PYHSYOTJSA-M

InChI

InChI=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+

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/Cc1cc(C(=O)[O-])ccc1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:84496 chebi:84496	4-hydroxy-3-all-trans-heptaprenylbenzoate 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
seed.compound:cpd25872 seedM:cpd25872	3-heptaprenyl-4-hydroxybenzoate
CHEBI:84494 chebi:84494	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	4-hydroxy-3-heptaprenylbenzoate 3-heptaprenyl-4-hydroxybenzoate
seedM:M_cpd25872	secondary/obsolete/fantasy identifier