Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA013251
PROPERTIES
| NPAID | NPA013251 |
|---|---|
| CLUSTER ID | 4877 |
| NODE ID | 3512 |
| NAME | Sclerotide B |
| FORMULA | C37H39N7O8 |
| MOLECULAR WEIGHT (Da) | 709.7600 |
| ACCURATE MASS (Da) | 709.2860 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | sclerotiorum PT06-1 |
| InChIKey | NDYHVWGWXSGACG-BMFOEZNISA-N |
| InChI | InChI=1S/C37H39N7O8/c1-20-32(47)44-31(21(2)46)37(52)42-29(17-23-18-38-26-14-8-6-12-24(23)26)35(50)40-27-15-9-7-13-25(27)33(48)43-30(19-45)36(51)41-28(34(49)39-20)16-22-10-4-3-5-11-22/h3-15,17-18,20-21,28,30-31,38,45-46H,16,19H2,1-2H3,(H,39,49)(H,40,50)(H,41,51)(H,42,52)(H,43,48)(H,44,47)/b29-17+/t20-,21+,28+,30+,31-/m0/s1 |
| SMILES | C[C@H]1C(=O)N[C@H](C(=O)N/C(=C/C2=CNC3=CC=CC=C32)/C(=O)NC4=CC=CC=C4C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N1)CC5=CC=CC=C5)CO)[C@@H](C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Zheng, Jinkai; Zhu, Huajie; Hong, Kui; Wang, Yi; Liu, Peipei; Wang, Xin; Peng, Xiaoping; Zhu, Weiming Novel cyclic hexapeptides from marine-derived fungus, Aspergillus sclerotiorum PT06-1 Organic Letters 2009 11 (22) 5262-5265. | ||
|---|---|---|---|
| DOI | 10.1021/ol902197z | PMID | 19827766 |
