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3-methoxy-4-hydroxy-5-all-trans-heptaprenylbenzoate

Properties

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Occurences in reactions

MNX_ID

MNXM10057

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

formula

C₄₃H₆₃O₄

charge

-1

mass

643.47318

reference

chebi:84454

InChIKey

KYBJQEICWVEWIL-TUUMQRACSA-M

InChI

InChI=1S/C43H64O4/c1-32(2)16-10-17-33(3)18-11-19-34(4)20-12-21-35(5)22-13-23-36(6)24-14-25-37(7)26-15-27-38(8)28-29-39-30-40(43(45)46)31-41(47-9)42(39)44/h16,18,20,22,24,26,28,30-31,44H,10-15,17,19,21,23,25,27,29H2,1-9H3,(H,45,46)/p-1/b33-18+,34-20+,35-22+,36-24+,37-26+,38-28+

SMILES

COc1cc(C(=O)[O-])cc(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:84454 chebi:84454	3-methoxy-4-hydroxy-5-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-hydroxy-5-methoxybenzoate 3-heptaprenyl-4-hydroxy-5-methoxybenzoate
seed.compound:cpd25900 seedM:cpd25900	3-(3,7,11,15,19,23-heptamethyltetracosa-2,6,10,14,18,22-hexaenyl) -4-hydroxy-5-methoxy-benzoic acid 3-heptaprenyl-4-hydroxy-5-methoxybenzoate 3-methoxy-4-hydroxy-5-all-trans-heptaprenylbenzoate 3-methoxy-4-hydroxy-5-heptaprenylbenzoate
metacyc.compound:CPD-9904 metacycM:CPD-9904	3-methoxy-4-hydroxy-5-all-trans-heptaprenylbenzoate 3-(3,7,11,15,19,23-heptamethyltetracosa-2,6,10,14,18,22-hexaenyl) -4-hydroxy-5-methoxy-benzoic acid 3-heptaprenyl-4-hydroxy-5-methoxybenzoate 3-methoxy-4-hydroxy-5-heptaprenylbenzoate
CHEBI:84453 chebi:84453	3-methoxy-4-hydroxy-5-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-hydroxy-5-methoxybenzoic acid
seedM:M_cpd25900	secondary/obsolete/fantasy identifier