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tetracenomycin B3

Properties

Image

Occurences in reactions

MNX_ID

MNXM3364

	#reac
in my sandbox	0
in MNXref (generic)	9
in models (compartimentalized)	0

formula

C₂₁H₁₄O₈

charge

mass

394.06887

reference

InChIKey

NSKLWYCTXNPUBB-UHFFFAOYSA-N

InChI

InChI=1S/C21H14O8/c1-7-14-8(4-12(22)15(7)21(27)28)3-10-17(19(14)25)20(26)16-11(18(10)24)5-9(29-2)6-13(16)23/h3-6,22-23,25H,1-2H3,(H,27,28)

SMILES

COc1cc(O)c2c(c1)C(=O)c1cc3cc(O)c(C(=O)O)c(C)c3c(O)c1C2=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:32200 chebi:32200	tetracenomycin B3 3,10,12-trihydroxy-8-methoxy-1-methyl-6,11-dioxo-6,11-dihydrotetracene-2-carboxylic acid Tetracenomycin B(3) Tetracenomycin B3
kegg.compound:C12369 keggC:C12369	Tetracenomycin B3
seed.compound:cpd09122 seedM:cpd09122	Tetracenomycin B3 Tcm B3 tetracenomycin B3
metacyc.compound:CPD-16644 metacycM:CPD-16644	tetracenomycin B3 Tcm B3
keggC:M_C12369 seedM:M_cpd09122	secondary/obsolete/fantasy identifier