Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020663
PROPERTIES
| NPAID | NPA020663 |
|---|---|
| CLUSTER ID | 6491 |
| NODE ID | 4488 |
| NAME | Avidinorubicin |
| FORMULA | C60H86N4O22 |
| MOLECULAR WEIGHT (Da) | 1215.3540 |
| ACCURATE MASS (Da) | 1214.5734 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | avidinii NR0576 |
| InChIKey | XMRHMVSZMLOUMS-WCRFGKPLSA-N |
| InChI | InChI=1S/C60H86N4O22/c1-24-45(68)31(63(9)10)18-36(76-24)80-33-21-57(5,74)20-29-40(33)48(71)42-43(47(29)70)49(72)41-28(46(42)69)14-15-30-52(41)85-56-50(73)44(64(11)12)55(60(30,8)86-56)84-39-23-59(7,62)54(27(4)79-39)83-38-22-58(6,61)53(26(3)78-38)82-37-19-32(75-13)51(25(2)77-37)81-35(67)17-16-34(65)66/h14-15,24-27,31-33,36-39,44-45,50-51,53-56,68,70-71,73-74H,16-23,61-62H2,1-13H3,(H,65,66)/t24-,25+,26-,27-,31-,32-,33+,36+,37-,38+,39+,44+,45-,50-,51-,53+,54+,55-,56+,57-,58+,59+,60+/m1/s1 |
| SMILES | C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O[C@H]2C[C@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C6=C(C=C5)[C@]7([C@@H]([C@H]([C@H]([C@@H](O6)O7)O)N(C)C)O[C@H]8C[C@]([C@H]([C@H](O8)C)O[C@H]9C[C@]([C@H]([C@H](O9)C)O[C@@H]1C[C@H]([C@@H]([C@@H](O1)C)OC(=O)CCC(=O)O)OC)(C)N)(C)N)C)O)(C)O)N(C)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Aoki M; Shirai H; Nakayama N; Itezono Y; Mori M; Satoh T; Ohshima S; Watanabe J; Yokose K; Seto H STRUCTURAL STUDIES ON AVIDINORUBICIN, A NOVEL ANTHRACYCLINE WITH PLATELET AGGREGATION INHIBITORY ACTIVITY Journal of Antibiotics 1991 44 (6) 635-645. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.44.635 | PMID | 2071489 |
