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tetracenomycin E

Properties

Image

Occurences in reactions

MNX_ID

MNXM7796

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

formula

C₂₂H₁₆O₈

charge

mass

408.08452

reference

InChIKey

UBGPMJPFKHUCCA-UHFFFAOYSA-N

InChI

InChI=1S/C22H16O8/c1-8-15-9(5-14(30-3)16(8)22(27)28)4-11-18(20(15)25)21(26)17-12(19(11)24)6-10(29-2)7-13(17)23/h4-7,23,25H,1-3H3,(H,27,28)

SMILES

COc1cc(O)c2c(c1)C(=O)c1cc3cc(OC)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:32204 chebi:32204	tetracenomycin E 10,12-dihydroxy-3,8-dimethoxy-1-methyl-6,11-dioxo-6,11-dihydrotetracene-2-carboxylic acid Tetracenomycin E
kegg.compound:C12370 keggC:C12370	Tetracenomycin E
seed.compound:cpd09123 seedM:cpd09123	Tetracenomycin E Tcm E tetracenomycin E
metacyc.compound:CPD-16678 metacycM:CPD-16678	tetracenomycin E Tcm E
keggC:M_C12370 seedM:M_cpd09123	secondary/obsolete/fantasy identifier