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limonoate

Properties

Image

Occurences in reactions

MNX_ID

MNXM4034

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

formula

C₂₆H₃₂O₁₀

charge

-2

mass

504.20064

reference

chebi:57763

InChIKey

WOJQWDNWUNSRTA-MSGMIQHVSA-L

InChI

InChI=1S/C26H34O10/c1-22(2)15-9-16(28)24(4)14(25(15,12-27)17(35-22)10-18(29)30)5-7-23(3,19(31)13-6-8-34-11-13)26(24)20(36-26)21(32)33/h6,8,11,14-15,17,19-20,27,31H,5,7,9-10,12H2,1-4H3,(H,29,30)(H,32,33)/p-2/t14-,15-,17-,19-,20+,23-,24-,25+,26+/m0/s1

SMILES

CC1(C)O[C@@H](CC(=O)[O-])[C@@]2(CO)[C@H]1CC(=O)[C@]1(C)[C@@H]2CC[C@@](C)([C@@H](O)c2ccoc2)[C@@]12O[C@@H]2C(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57763 chebi:57763	limonoate (1S,3'S,3aR,5aR,6R,7S,9aR,9bR)-1-(carboxylatomethyl)-7-[(R)-3-furyl(hydroxy)methyl]-9b-(hydroxymethyl)-3,3,5a,7-tetramethyl-5-oxodecahydro-3H-spiro[naphtho[1,2-c]furan-6,2'-oxirane]-3'-carboxylate limonoate dianion limonoate(2-)
kegg.compound:C01593 keggC:C01593	Limonoate
seed.compound:cpd01120 seedM:cpd01120	Limonoate limonoate
metacyc.compound:LIMONOATE metacycM:LIMONOATE	limonoate
CHEBI:16419 chebi:16419	limonoic acid (1S,3'S,3aR,5aR,6R,7S,9aR,9bR)-1-(carboxymethyl)-7-[(R)-3-furyl(hydroxy)methyl]-9b-(hydroxymethyl)-3,3,5a,7-tetramethyl-5-oxodecahydro-3H-spiro[naphtho[1,2-c]furan-6,2'-oxirane]-3'-carboxylic acid Limonoate
chebi:14510 chebi:25041 chebi:6466 keggC:M_C01593 seedM:M_cpd01120	secondary/obsolete/fantasy identifier