Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA006377
PROPERTIES
| NPAID | NPA006377 |
|---|---|
| CLUSTER ID | 46 |
| NODE ID | 11 |
| NAME | Griseorhodin D1/D2 |
| FORMULA | C52H38O16 |
| MOLECULAR WEIGHT (Da) | 918.8600 |
| ACCURATE MASS (Da) | 918.2160 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. CN48 |
| InChIKey | HTSWORYRFFMQSU-LQDDJWCHSA-N |
| InChI | InChI=1S/C52H38O16/c1-17(53)7-21-9-19-3-5-25-27(35(19)47(61)37(21)51(65)66)15-31-39(29-11-23(55)13-33(57)41(29)49(63)43(31)45(25)59)40-30-12-24(56)14-34(58)42(30)50(64)44-32(40)16-28-26(46(44)60)6-4-20-10-22(8-18(2)54)38(52(67)68)48(62)36(20)28/h9-16,39-40,55-62H,3-8H2,1-2H3,(H,65,66)(H,67,68)/t39-,40+ |
| SMILES | CC(=O)CC1=C(C(=C2C(=C1)CCC3=C(C4=C(C=C32)[C@@H](C5=CC(=CC(=C5C4=O)O)O)[C@H]6C7=CC(=CC(=C7C(=O)C8=C6C=C9C(=C8O)CCC1=CC(=C(C(=C19)O)C(=O)O)CC(=O)C)O)O)O)O)C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Lin, Zhenjian; Zachariah, Malcolm M.; Marett, Lenny; Hughen, Ronald W.; Teichert, Russell W.; Concepcion, Gisela P.; Haygood, Margo G.; Olivera, Baldomero M.; Light, Alan R.; Schmidt, Eric W. Griseorhodins D-F, neuroactive intermediates and end products of post-PKS tailoring modification in griseorhodin biosynthesis Journal of Natural Products 2014 77 (5) 1224-1230. | ||
|---|---|---|---|
| DOI | 10.1021/np500155d | PMID | 24786728 |
