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nogalaviketone

Properties

Image

Occurences in reactions

MNX_ID

MNXM12475

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

formula

C₂₁H₁₅O₈

charge

-1

mass

395.07724

reference

chebi:84342

InChIKey

NIJCZTKHKOATFT-KKSFZXQISA-M

InChI

InChI=1S/C21H16O8/c1-21(28)7-12(23)14-9(16(21)20(27)29-2)6-10-15(19(14)26)18(25)13-8(17(10)24)4-3-5-11(13)22/h3-6,16,22,26,28H,7H2,1-2H3/p-1/t16-,21-/m0/s1

SMILES

COC(=O)[C@@H]1c2cc3c(c([O-])c2C(=O)C[C@]1(C)O)C(=O)c1c(O)cccc1C3=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:84342 chebi:84342	nogalaviketone (1R,2S)-2,7-dihydroxy-1-(methoxycarbonyl)-2-methyl-4,6,11-trioxo-1,2,3,4,6,11-hexahydrotetracen-5-olate nogalaviketone(1-)
kegg.compound:C18630 keggC:C18630	Nogalaviketone Methyl 5,7-dihydroxy-2-methyl-4,6,11-trioxo-3,4,6,11-tetrahydrotetracene-1-carboxylate
seed.compound:cpd19893 seedM:cpd19893	Nogalaviketone methyl 5,7-dihydroxy-2-methyl-4,6,11-trioxo-3,4,6,11-tetrahydrotetracene-1-carboxylate nogalaviketone
CHEBI:81874 chebi:81874	nogalaviketone methyl (1R,2S)-2,5,7-trihydroxy-2-methyl-4,6,11-trioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
metacyc.compound:CPD-15808 metacycM:CPD-15808	nogalaviketone methyl 5,7-dihydroxy-2-methyl-4,6,11-trioxo-3,4,6,11-tetrahydrotetracene-1-carboxylate
keggC:M_C18630 seedM:M_cpd19893	secondary/obsolete/fantasy identifier