Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA021313
PROPERTIES
| NPAID | NPA021313 |
|---|---|
| CLUSTER ID | 6641 |
| NODE ID | 4607 |
| NAME | PA-46101 B |
| FORMULA | C61H86O22 |
| MOLECULAR WEIGHT (Da) | 1171.3370 |
| ACCURATE MASS (Da) | 1170.5611 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | strain PA-46101 |
| InChIKey | VWAVLHBQMIPOES-RJWUGKOISA-N |
| InChI | InChI=1S/C61H86O22/c1-14-33-26-61-49(64)48(54(68)83-61)82-57(69)59(8)36(19-15-16-23-58(61,7)27-35(33)52(65)66)29(3)24-34-37(59)21-22-40(78-56-51(74-13)60(9,70)50(73-12)32(6)77-56)46(34)81-55-43(63)47(79-41-25-38(62)44(72-11)30(4)75-41)45(31(5)76-55)80-53(67)42-28(2)18-17-20-39(42)71-10/h17-18,20,24,27,30-34,36-38,40-41,43-47,50-51,55-56,62-64,70H,14-16,19,21-23,25-26H2,1-13H3,(H,65,66)/t30?,31?,32?,33-,34+,36-,37-,38?,40+,41?,43?,44?,45?,46-,47?,50?,51?,55?,56?,58-,59-,60?,61-/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](OC3OC(C)C(OC(=O)C4=C(OC)C=CC=C4C)C(OC4CC(O)C(OC)C(C)O4)C3O)[C@@H](OC3OC(C)C(OC)C(C)(O)C3OC)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 |
