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deoxylimonoate

Properties

Image

Occurences in reactions

MNX_ID

MNXM4566

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₂₆H₃₁O₈

charge

-1

mass

471.20244

reference

chebi:58024

InChIKey

NLNLACOJSWLNHE-DYNITIQCSA-M

InChI

InChI=1S/C26H32O8/c1-14-16(5-7-25(4)17(14)9-22(30)33-23(25)15-6-8-31-12-15)26-13-32-21(29)11-19(26)34-24(2,3)18(26)10-20(27)28/h6,8,12,16,18-19,23H,5,7,9-11,13H2,1-4H3,(H,27,28)/p-1/t16-,18-,19-,23-,25+,26+/m0/s1

SMILES

CC1=C2CC(=O)O[C@@H](c3ccoc3)[C@]2(C)CC[C@@H]1[C@@]12COC(=O)C[C@@H]1OC(C)(C)[C@@H]2CC(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58024 chebi:58024	deoxylimonoate deoxylimonoate anion deoxylimonoate(1-) {(3R,3aR,7aS)-3a-[(1R,6S,8aR)-1-furan-3-yl-5,8a-dimethyl-3-oxo-3,4,6,7,8,8a-hexahydro-1H-isochromen-6-yl]-2,2-dimethyl-6-oxohexahydro-4H-furo[3,2-c]pyran-3-yl}acetate
kegg.compound:C02027 keggC:C02027	Deoxylimonate Deoxylimonic acid
seed.compound:cpd11999 seedM:cpd11999	Deoxylimonate Deoxylimonic acid deoxylimonate deoxylimonic acid
metacyc.compound:DEOXYLIMONATE metacycM:DEOXYLIMONATE	deoxylimonate deoxylimonic acid
CHEBI:17133 chebi:17133	deoxylimonoic acid Deoxylimonate Deoxylimonic acid {(3R,3aR,7aS)-3a-[(1R,6S,8aR)-1-furan-3-yl-5,8a-dimethyl-3-oxo-3,4,6,7,8,8a-hexahydro-1H-isochromen-6-yl]-2,2-dimethyl-6-oxohexahydro-4H-furo[3,2-c]pyran-3-yl}acetic acid
chebi:14117 chebi:23632 chebi:4415 keggC:M_C02027 seedM:M_cpd11999	secondary/obsolete/fantasy identifier