Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA005118
PROPERTIES
| NPAID | NPA005118 |
|---|---|
| CLUSTER ID | 2559 |
| NODE ID | 2000 |
| NAME | Isoquinocycline A |
| FORMULA | C33H34N2O10 |
| MOLECULAR WEIGHT (Da) | 618.6390 |
| ACCURATE MASS (Da) | 618.2213 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | aureofaciens |
| InChIKey | LHDJGLQULHMCSJ-WGNOBJAYSA-N |
| InChI | InChI=1S/C33H34N2O10/c1-13(36)33(42)14(2)43-22(10-21(33)38)44-29-18-9-17-25(26(39)16-5-4-6-20(37)24(16)27(17)40)28(41)23(18)19-12-31(29,3)45-32(19)11-15-7-8-34-30(15)35-32/h4-6,9,11,13-14,19,21-22,29,36-38,41-42H,7-8,10,12H2,1-3H3,(H,34,35)/t13?,14?,19?,21?,22?,29-,31-,32-,33?/m1/s1 |
| SMILES | CC1C(C(CC(O1)O[C@@H]2C3=C(C4C[C@]2(O[C@]45C=C6CCN=C6N5)C)C(=C7C(=C3)C(=O)C8=C(C7=O)C=CC=C8O)O)O)(C(C)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Tulinsky, A The structure of isoquinocycline A. An X-ray crystallographic determination Journal of the American Chemical Society 1964 86 (23) 5368-5369. | ||
|---|---|---|---|
| DOI | 10.1021/ja01077a089 | PMID | - |
