Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA014825
PROPERTIES
| NPAID | NPA014825 |
|---|---|
| CLUSTER ID | 916 |
| NODE ID | 793 |
| NAME | Pyrroindomycin A |
| FORMULA | C60H80N4O15 |
| MOLECULAR WEIGHT (Da) | 1097.3130 |
| ACCURATE MASS (Da) | 1096.5620 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | rugosporus sp. LL-42D005 |
| InChIKey | WBRRERWUHZUEOG-JJHZGEEKSA-N |
| InChI | InChI=1S/C60H80N4O15/c1-9-32-24-57(6)25-37(55(69)70)28(2)60(27-57)51(67)48(54(68)64-60)50(66)59(8)33(21-41(32)65)17-18-35-38(59)14-12-16-43(35)77-45-20-19-42(29(3)73-45)76-47-26-58(7,72)52(31(5)75-47)79-46-23-44(49(61)30(4)74-46)78-56(71)40-22-36-34-13-10-11-15-39(34)62-53(36)63-40/h10-11,13,15,17-18,22,25,28-33,35,38,41-47,49,52,62-63,65-66,72H,9,12,14,16,19-21,23-24,26-27,61H2,1-8H3,(H,64,68)(H,69,70)/t28?,29-,30+,31+,32?,33?,35?,38?,41?,42-,43?,44+,45+,46-,47-,49-,52+,57?,58-,59?,60?/m0/s1 |
| SMILES | CCC1CC2(CC3(C(C(=C2)C(=O)O)C)C(=O)C(=C(C4(C5CCCC(C5C=CC4CC1O)O[C@@H]6CC[C@@H]([C@@H](O6)C)O[C@H]7C[C@]([C@@H]([C@H](O7)C)O[C@H]8C[C@H]([C@H]([C@H](O8)C)N)OC(=O)C9=CC1=C(N9)NC2=CC=CC=C21)(C)O)C)O)C(=O)N3)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ding; Williams; Northcote; Siegel; Tsao; Ashcroft; Morton; Alluri; Abbanat; Maiese; Ellestad Pyrroindomycins, novel antibiotics produced by Streptomyces rugosporus sp. LL-42D005 I. Isolation and structure determination Journal of Antibiotics 1994 47 (11) 1250-1257. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.47.1250 | PMID | 8002387 |
