Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA000309
PROPERTIES
| NPAID | NPA000309 |
|---|---|
| CLUSTER ID | 22 |
| NODE ID | 21 |
| NAME | (3S,5E,7S,8S)-13-Bromo-3,4,7,8,9,10-hexahydro-7,8,9,16-tetrahydroxy-14-methoxy-3-methyl-1H-2-benzooxacyclotetradecin-1-one |
| FORMULA | C19H23BrO7 |
| MOLECULAR WEIGHT (Da) | 443.2900 |
| ACCURATE MASS (Da) | 442.0627 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Cochliobolus |
| ORIGIN SPECIES | lunatus (TA26-46) |
| InChIKey | CXOUKSOPSSXCMZ-ZMYIOMMISA-N |
| InChI | InChI=1S/C19H23BrO7/c1-10-5-3-7-12(21)18(24)13(22)8-4-6-11-16(19(25)27-10)14(23)9-15(26-2)17(11)20/h3-4,6-7,9-10,12-13,18,21-24H,5,8H2,1-2H3/t10-,12-,13+,18+/m0/s1 |
| SMILES | COC1=C(Br)C2=C(C(=O)O[C@@H](C)CC=C[C@H](O)[C@@H](O)[C@H](O)CC=C2)C(O)=C1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Zhang, Wei; Shao, Chang-Lun; Chen, Min; Liu, Qing-Ai; Wang, Chang-Yun Brominated resorcylic acid lactones from the marine-derived fungus Cochliobolus lunatus induced by histone deacetylase inhibitors Tetrahedron Letters 2014 55 (35) 4888-4891. | ||
|---|---|---|---|
| DOI | 10.1016/j.tetlet.2014.06.096 | PMID | - |
