Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA021314
PROPERTIES
| NPAID | NPA021314 |
|---|---|
| CLUSTER ID | 6641 |
| NODE ID | 4607 |
| NAME | PA-46101 A |
| FORMULA | C52H70O18 |
| MOLECULAR WEIGHT (Da) | 983.1140 |
| ACCURATE MASS (Da) | 982.4562 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | strain PA-46101 |
| InChIKey | GUUBJNZJQYYEGQ-SXUAXIQQSA-N |
| InChI | InChI=1S/C52H70O18/c1-10-28-22-52-44(56)43(47(60)70-52)69-49(61)51(7)31(15-11-12-19-50(52,6)23-30(28)45(57)58)25(3)20-29-32(51)17-18-33(53)41(29)68-48-38(55)42(66-36-21-34(54)39(63-9)26(4)64-36)40(27(5)65-48)67-46(59)37-24(2)14-13-16-35(37)62-8/h13-14,16,20,23,26-29,31-34,36,38-42,48,53-56H,10-12,15,17-19,21-22H2,1-9H3,(H,57,58)/t26-,27?,28-,29+,31-,32-,33+,34-,36+,38+,39+,40+,41-,42-,48+,50-,51-,52-/m1/s1 |
| SMILES | CC[C@@H]1C[C@@]23OC(=O)C(=C2O)OC(=O)[C@]2(C)[C@H](CCCC[C@]3(C)C=C1C(=O)O)C(C)=C[C@@H]1[C@@H](O[C@@H]3OC(C)[C@H](OC(=O)C4=C(C)C=CC=C4OC)[C@H](O[C@H]4C[C@@H](O)[C@@H](OC)[C@@H](C)O4)[C@@H]3O)[C@@H](O)CC[C@H]12 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Matsumoto M; Kawamura Y; Yoshimura Y; Terui Y; Nakai H; Yoshida T; Shoji J ISOLATION, CHARACTERIZATION AND STRUCTURES OF PA-46101 A AND B Journal of Antibiotics 1990 43 (7) 739-747. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.43.739 | PMID | 2387767 |
