Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA021084
PROPERTIES
| NPAID | NPA021084 |
|---|---|
| CLUSTER ID | 6603 |
| NODE ID | 1092 |
| NAME | Not named |
| FORMULA | C46H78O16 |
| MOLECULAR WEIGHT (Da) | 887.1140 |
| ACCURATE MASS (Da) | 886.5290 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. 6016 |
| InChIKey | AINDPXHXPBFFDG-UVRRTGMGSA-N |
| InChI | InChI=1S/C46H78O16/c1-22-17-23(2)44(9,50)61-38(22)32-14-13-31(56-32)35-20-36(57-37-16-15-30(52-10)28(7)55-37)41(58-35)43(8)21-24(3)46(62-43)26(5)34(53-11)19-29(59-46)18-33-25(4)39(54-12)27(6)45(51,60-33)40(47)42(48)49/h22-41,47,50-51H,13-21H2,1-12H3,(H,48,49)/t22-,23+,24+,25+,26+,27-,28+,29+,30-,31+,32+,33-,34+,35-,36+,37-,38-,39?,40-,41+,43?,44-,45-,46+/m0/s1 |
| SMILES | C[C@H]1C[C@H]([C@@](O[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]3C[C@H]([C@@H](O3)C4(C[C@H]([C@@]5(O4)[C@@H]([C@@H](C[C@H](O5)C[C@H]6[C@H](C([C@@H]([C@](O6)([C@H](C(=O)O)O)O)C)OC)C)OC)C)C)C)O[C@H]7CC[C@@H]([C@H](O7)C)OC)(C)O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Seto H; Nakayama H; Ogita T; Furihata K; Mizove K; Otake N STUDIES ON THE IONOPHOROUS ANTIBIOTICS. XXI1) STRUCTURAL ELUCIDATION OF A NEW POLYETHER ANTIBIOTIC 6016 BY APPLICATION OF THE EMPIRICAL RULES IN 13C-NMR SPECTROSCOPY Journal of Antibiotics 1979 32 (3) 244-246. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.32.244 | PMID | 457584 |
