Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020843
PROPERTIES
| NPAID | NPA020843 |
|---|---|
| CLUSTER ID | 6541 |
| NODE ID | 4530 |
| NAME | Viriplanin A |
| FORMULA | C80H111N3O34 |
| MOLECULAR WEIGHT (Da) | 1658.7550 |
| ACCURATE MASS (Da) | 1657.7049 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Ampullariella |
| ORIGIN SPECIES | regularis SE 47 (ATCC 31417) |
| InChIKey | BYKZIESBUJUBPO-DQCTYACXSA-N |
| InChI | InChI=1S/C80H111N3O34/c1-30(17-51(89)90)75(95)116-71-35(6)106-56(26-49(71)100-15)114-73-37(8)108-58(29-78(73,10)82-99)111-69-33(4)104-53(24-47(69)87)110-68-32(3)103-52(23-46(68)86)109-50-27-79(11,97)63(76(96)101-16)40-20-41-61(66(93)59(40)50)67(94)62-44(84)21-42-39(60(62)65(41)92)18-38-19-43(83(13)14)74(80(42,12)117-38)115-55-25-48(88)70(34(5)105-55)112-57-28-77(9,81-98)72(36(7)107-57)113-54-22-45(85)64(91)31(2)102-54/h17,20-21,31-38,43,45-50,52-58,63-64,68-74,84-88,91,93,97H,18-19,22-29H2,1-16H3,(H,89,90)/b30-17+/t31?,32?,33?,34?,35?,36?,37?,38-,43-,45?,46?,47?,48?,49?,50-,52?,53?,54?,55?,56?,57?,58?,63-,64?,68?,69?,70?,71?,72?,73?,74-,77?,78?,79+,80+/m0/s1 |
| SMILES | CC1C(C(CC(O1)OC2C(OC(CC2(C)N=O)OC3C(OC(CC3O)O[C@H]4[C@H](C[C@@H]5CC6=C7C(=C(C=C6[C@]4(O5)C)O)C(=O)C8=C(C9=C(C=C8C7=O)[C@H]([C@](C[C@@H]9OC1CC(C(C(O1)C)OC1CC(C(C(O1)C)OC1CC(C(C(O1)C)OC1CC(C(C(O1)C)OC(=O)/C(=C/C(=O)O)/C)OC)(C)N=O)O)O)(C)O)C(=O)OC)O)N(C)C)C)C)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Hütter K; Baader E; Frobel K; Zeeck A; Bauer K; Gau W; Kurz J; Schröder T; Wünsche C; Karl W Viriplanin A, a new anthracycline antibiotic of the nogalamycin group. I. Isolation, characterization, degradation reactions and biological properties. Journal of Antibiotics 1986 39 (9) 1193-1204. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.39.1193 | PMID | 3023268 |
