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tetracenomycin B2

Properties

Image

Occurences in reactions

MNX_ID

MNXM12988

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

formula

C₂₂H₁₆O₈

charge

mass

408.362

reference

chebi:32199

InChIKey

IPQJRJBZGLDTMW-UHFFFAOYSA-N

InChI

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

SMILES

[CH3:1][c:8]1[c:15]2[c:9]([cH:4][c:11]3[c:18]([c:20]2[OH:26])[C:21](=[O:27])[c:17]2[c:12]([cH:6][c:10]([O:29][CH3:2])[cH:7][c:14]2[OH:24])[C:19]3=[O:25])[cH:5][c:13]([OH:23])[c:16]1[C:22](=[O:28])[O:30][CH3:3]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:32199 chebi:32199	tetracenomycin B2 Tetracenomycin B2 methyl 3,10,12-trihydroxy-8-methoxy-1-methyl-6,11-dioxo-6,11-dihydrotetracene-2-carboxylate
kegg.compound:C12378 keggC:C12378	Tetracenomycin B2 8-Demethyltetracenomycin A2
seed.compound:cpd09131 seedM:cpd09131	Tetracenomycin B2 8-Demethyltetracenomycin A2 8-demethyltetracenomycin A2 Tcm B2 tetracenomycin B2
metacyc.compound:CPD-16643 metacycM:CPD-16643	tetracenomycin B2 8-demethyltetracenomycin A2 Tcm B2
keggC:M_C12378 seedM:M_cpd09131	secondary/obsolete/fantasy identifier