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(+)-geodin

MNXM98397 is deprecated and here replaced by MNXM1112495
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1112495

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

formula

C₁₇H₁₁Cl₂O₇

charge

-1

mass

396.98873

reference

InChIKey

LUBKKVGXMXTXOZ-QGZVFWFLSA-M

InChI

InChI=1S/C17H12Cl2O7/c1-6-11(18)13(21)10-14(12(6)19)26-17(15(10)22)8(16(23)25-3)4-7(20)5-9(17)24-2/h4-5,21H,1-3H3/p-1/t17-/m1/s1

SMILES

COC(=O)C1=CC(=O)C=C(OC)[C@]12Oc1c(Cl)c(C)c(Cl)c([O-])c1C2=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:150868 chebi:150868	(+)-geodin (+)-geodin(1-) (1'R)-5,7-dichloro-2'-methoxy-6'-(methoxycarbonyl)-6-methyl-3,4'-dioxo-3H-spiro[[1]benzofuran-2,1'-cyclohexa[2,5]dien]-4-olate estin(1-) geodin(1-)
CHEBI:150867 chebi:150867	(+)-geodin (+)-erdin methyl ester (2R)-methyl-5,7-dichloro-4-hydroxy-6'-methoxy-6-methyl-3,4'-dioxospiro-[benzofuran-2,1'-cyclohexa-2',5'-diene]-2'-carboxylate D-geodin erdin (+)-form methyl ester estin geodin methyl (1'R)-5,7-dichloro-4-hydroxy-6'-methoxy-6-methyl-3,4'-dioxo-3H-spiro[[1]benzofuran-2,1'-cyclohexa[2,5]diene]-2'-carboxylate
metacyc.compound:CPD-14536 metacycM:CPD-14536	(+)-geodin estin methyl 5,7-dichloro-4-hydroxy-6'-methoxy-6-methyl-3,4'-dioxo-3h-spiro[1-benzofuran-2,1'-cyclohexa[2,5]diene]-2'-carboxylate