MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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(+)-geodin

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

	Properties	Image
MNX_ID	MNXM1112495
reference	chebi:150868
formula	C₁₇H₁₁Cl₂O₇
global charge	-1
mol weight	398.174
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@]12OC1=C(Cl)C(C)=C(Cl)C([O-])=C1C2=O

MNX internals

InChI (mnx)	InChI=1/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/t17-/m1/s1
SMILES (mnx)	[CH3:1][C:6]1=[C:11]([Cl:18])[C:13]([OH:21])=[C:10]2[C:14](=[C:12]1[Cl:19])[O:26][C@@:17]1([C:8]([C:16](=[O:23])[O:25][CH3:3])=[CH:4][C:7](=[O:20])[CH:5]=[C:9]1[O:24][CH3:2])[C:15]2=[O:22]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:150868 chebi:150868 LUBKKVGXMXTXOZ-QGZVFWFLSA-M	(+)-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 LUBKKVGXMXTXOZ-QGZVFWFLSA-N	(+)-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 LUBKKVGXMXTXOZ-QGZVFWFLSA-M	(+)-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
seed.compound:cpd32503 seedM:cpd32503 LUBKKVGXMXTXOZ-QGZVFWFLSA-N	estin geodin 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
seedM:M_cpd32503	secondary/obsolete/fantasy identifier