Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA015404
PROPERTIES
| NPAID | NPA015404 |
|---|---|
| CLUSTER ID | 46 |
| NODE ID | 11 |
| NAME | Grincamycin B |
| FORMULA | C49H62O18 |
| MOLECULAR WEIGHT (Da) | 939.0170 |
| ACCURATE MASS (Da) | 938.3936 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | lusitanus SCSIO LR32 |
| InChIKey | FMPNXDMJKBQLJR-SVDKGFTASA-N |
| InChI | InChI=1S/C49H62O18/c1-22-31(50)11-15-38(60-22)64-34-13-17-40(62-24(34)3)66-48-26(5)59-36(19-33(48)52)28-9-10-30-43(45(28)56)47(58)29-8-7-27(44(55)42(29)46(30)57)20-49(6,21-37(53)54)67-41-18-14-35(25(4)63-41)65-39-16-12-32(51)23(2)61-39/h7-10,22-26,33-36,38-41,48,52,55-56H,11-21H2,1-6H3,(H,53,54)/t22-,23-,24-,25-,26+,33+,34-,35-,36+,38-,39-,40-,41-,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=CC(=C5O)C[C@](C)(CC(=O)O)O[C@H]6CC[C@@H]([C@@H](O6)C)O[C@H]7CCC(=O)[C@@H](O7)C)O)C)O[C@H]8CCC(=O)[C@@H](O8)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Huang, Hongbo; Yang, Tingting; Ren, Xiangmei; Liu, Jing; Song, Yongxiang; Sun, Aijun; Ma, Junying; Wang, Bo; Zhang, Yun; Huang, Caiguo; Zhang, Changsheng; Ju, Jianhua Cytotoxic angucycline class glycosides from the deep sea actinomycete Streptomyces lusitanus SCSIO LR32 Journal of Natural Products 2012 75 (2) 202-208. | ||
|---|---|---|---|
| DOI | 10.1021/np2008335 | PMID | 22304344 |
