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CHEBI:43005 - HEDAMYCIN
| Formula | C41H52N2O11 |
| Net Charge | +2 |
| Average Mass | 748.870 |
| Monoisotopic Mass | 748.35601 |
| SMILES | [H]Oc1c2c(c([C@]3([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])([N+]([H])(C([H])([H])[H])C([H])([H])[H])C3([H])[H])c([H])c1[C@]1([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@](C([H])([H])[H])([N+]([H])(C([H])([H])[H])C([H])([H])[H])C1([H])[H])C(=O)c1c([H])c(C([H])([H])[H])c3c(=O)c([H])c([C@]4(C([H])([H])[H])O[C@@]4([H])[C@]4([H])O[C@@]4([H])C([H])([H])[H])oc3c1C2=O |
| InChI | InChI=1S/C41H50N2O11/c1-16-11-22-30(37-28(16)24(44)14-27(53-37)41(6)39(54-41)36-18(3)52-36)35(48)31-29(34(22)47)20(25-13-23(42(7)8)32(45)17(2)50-25)12-21(33(31)46)26-15-40(5,43(9)10)38(49)19(4)51-26/h11-12,14,17-19,23,25-26,32,36,38-39,45-46,49H,13,15H2,1-10H3/p+2/t17-,18+,19+,23-,25-,26-,32-,36-,38-,39+,40+,41+/m1/s1 |
| InChIKey | RZOFHOWMWMTHDX-KCOMYAKUSA-P |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| HEDAMYCIN (CHEBI:43005) is a anthraquinone (CHEBI:22580) |
| Synonyms | Source |
|---|---|
| HEDAMYCIN | PDBeChem |
| (2S,3S,4S,6R)-6-{8-[(2R,4R,5S,6R)-4-(dimethylammonio)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-2-[(2S,2'R,3R,3'S)-3,3'-dimethyl-2,2'-bioxir-3-yl]-11-hydroxy-5-methyl-4,7,12-trioxo-7,12-dihydro-4H-naphtho[2,3-h]chromen-10-yl}-3-hydroxy-N,N,2,4-tetramethyltetrahydro-2H-pyran-4-aminium (non-preferred name) | PDBeChem |