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Premithramycinone

Properties Image MNX_ID MNXM1584300 reference seedM:cpd09136 formula C21H17O9 global charge -1 mol weight 413.358 InChIKey KIDUWMLDPAHEJH-NKTYFGPESA-M InChI InChI=1S/C21H18O9/c1-7(22)13-17(26)18(30-2)11-5-9-3-8-4-10(23)6-12(24)14(8)16(25)15(9)20(28)21(11,29)19(13)27/h3-4,6,11,18,23-25,27,29H,5H2,1-2H3/p-1/t11-,18-,21+/m0/s1 SMILES CO[C@@H]1C(=O)C(C(C)=O)=C([O-])[C@@]2(O)C(=O)c3c(cc4cc(O)cc(O)c4c3O)C[C@@H]12 MNX internals InChI (mnx) InChI=1/C21H18O9/c1-7(22)13-17(26)18(30-2)11-5-9-3-8-4-10(23)6-12(24)14(8)16(25)15(9)20(28)21(11,29)19(13)27/h3-4,6,11,18,23-25,27,29H,5H2,1-2H3/t11-,18-,21+/m0/s1 SMILES (mnx) [CH3:1][C:7]([C:13]1=[C:19]([OH:27])[C@:21]2([OH:29])[C@@H:11]([CH2:5][c:9]3[cH:3][c:8]4[cH:4][c:10]([OH:23])[cH:6][c:12]([OH:24])[c:14]4[c:16]([OH:25])[c:15]3[C:20]2=[O:28])[C@H:18]([O:30][CH3:2])[C:17]1=[O:26])=[O:22]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
seed.compound:cpd09136 seedM:cpd09136 KIDUWMLDPAHEJH-NKTYFGPESA-M	Premithramycinone premithracinone
vmhM:pmcn vmhM:pmcn vmhmetabolite:pmcn vmhmetabolite:pmcn KIDUWMLDPAHEJH-NKTYFGPESA-M	Premithramycinone
seedM:M_cpd09136 vmhM:M_pmcn	secondary/obsolete/fantasy identifier