Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA001972
PROPERTIES
| NPAID | NPA001972 |
|---|---|
| CLUSTER ID | 46 |
| NODE ID | 45 |
| NAME | Grincamycin |
| FORMULA | C49H62O18 |
| MOLECULAR WEIGHT (Da) | 939.0170 |
| ACCURATE MASS (Da) | 938.3936 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | griseoincarnatus |
| InChIKey | JEMVIRAQUIJOCL-XURVNGJNSA-N |
| InChI | InChI=1S/C49H62O18/c1-22-30(50)9-13-37(60-22)64-33-11-15-39(62-24(33)3)66-46-26(5)59-35(19-32(46)52)27-7-8-28-41(43(27)54)44(55)29-17-18-48(57)21-47(6,20-36(53)49(48,58)42(29)45(28)56)67-40-16-12-34(25(4)63-40)65-38-14-10-31(51)23(2)61-38/h7-8,17-18,22-26,32-35,37-40,46,52,54,57-58H,9-16,19-21H2,1-6H3/t22-,23-,24-,25-,26+,32+,33-,34-,35+,37-,38-,39-,40-,46+,47-,48-,49-/m0/s1 |
| SMILES | C[C@H]1[C@H](CC[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@H]2O)C3=C(C4=C(C=C3)C(=O)C5=C(C4=O)C=C[C@]6([C@@]5(C(=O)C[C@](C6)(C)O[C@H]7CC[C@@H]([C@@H](O7)C)O[C@H]8CCC(=O)[C@@H](O8)C)O)O)O)C)O[C@H]9CCC(=O)[C@@H](O9)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Hayakawa, Y; Iwakiri, T; Imamura, K; Seto, H; Otake, N Studies on the isotetracenone antibiotics. III. A new isotetracenone antibiotic, grincamycin Journal of Antibiotics 1987 40 (12) 1785-1787. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.40.1785 | PMID | 3429346 |
