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deoxylimononate D-ring-lactone

Properties

Image

Occurences in reactions

MNX_ID

MNXM4567

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

formula

C₂₆H₃₂O₉

charge

-2

mass

488.20573

reference

chebi:57516

InChIKey

BQKCYOXFBVKBDA-DYNITIQCSA-L

InChI

InChI=1S/C26H34O9/c1-14-16(5-7-25(4)17(14)9-22(32)34-23(25)15-6-8-33-12-15)26(13-27)18(10-20(28)29)24(2,3)35-19(26)11-21(30)31/h6,8,12,16,18-19,23,27H,5,7,9-11,13H2,1-4H3,(H,28,29)(H,30,31)/p-2/t16-,18-,19-,23-,25+,26+/m0/s1

SMILES

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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57516 chebi:57516	deoxylimononate D-ring-lactone 2,2'-[(2S,3R,4R)-3-[(1R,6S,8aR)-1-(3-furyl)-5,8a-dimethyl-3-oxo-3,4,6,7,8,8a-hexahydro-1H-2-benzopyran-6-yl]-3-(hydroxymethyl)-5,5-dimethyltetrahydrofuran-2,4-diyl]diacetate deoxylimononate D-ring-lactone dianion deoxylimononate D-ring-lactone(2-)
kegg.compound:C04251 keggC:C04251	Deoxylimononic acid D-ring-lactone
seed.compound:cpd12503 seedM:cpd12503	Deoxylimononic acid D-ring-lactone deoxylimononic acid D-ring-lactone
CHEBI:15787 chebi:15787	deoxylimonoic acid D-ring-lactone 2,2'-[(2S,3R,4R)-3-[(1R,6S,8aR)-1-(3-furyl)-5,8a-dimethyl-3-oxo-3,4,6,7,8,8a-hexahydro-1H-2-benzopyran-6-yl]-3-(hydroxymethyl)-5,5-dimethyltetrahydrofuran-2,4-diyl]diacetic acid Deoxylimononic acid D-ring-lactone
metacyc.compound:DEOXYLIMONONIC-ACID-D-RING-LACTONE metacycM:DEOXYLIMONONIC-ACID-D-RING-LACTONE	deoxylimononic acid D-ring-lactone
chebi:14118 chebi:23633 chebi:4416 keggC:M_C04251 seedM:M_cpd12503	secondary/obsolete/fantasy identifier