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3,4-dihydroxy-5-all-trans-nonaprenylbenzoate

Properties

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Occurences in reactions

MNX_ID

MNXM10069

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₅₂H₇₇O₄

charge

-1

mass

765.58273

reference

chebi:62789

InChIKey

FMSCZYMOUYOENK-OPSRSWOASA-M

InChI

InChI=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+

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/Cc1cc(C(=O)[O-])cc(O)c1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:62789 chebi:62789	3,4-dihydroxy-5-all-trans-nonaprenylbenzoate 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	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	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