Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA032307
PROPERTIES
| NPAID | NPA032307 |
|---|---|
| CLUSTER ID | 9405 |
| NODE ID | 6303 |
| NAME | Waikikiamide B |
| FORMULA | C41H39N3O8 |
| MOLECULAR WEIGHT (Da) | 701.7760 |
| ACCURATE MASS (Da) | 701.2737 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | sp. FM242 |
| InChIKey | DKMOFXIZKXGGIM-DKGQAOFKSA-N |
| InChI | InChI=1S/C41H39N3O8/c1-18-14-19-15-20-16-24(49-6)28-31(26(20)30(45)27(19)33(46)50-18)52-41-22-8-9-23-21(10-12-37(2,3)51-23)29(22)42-34(41)38(4,5)25-17-39-11-7-13-44(39)36(48)40(25,32(28)41)43-35(39)47/h8-10,12,15-16,18,25,32,45H,7,11,13-14,17H2,1-6H3,(H,43,47)/t18-,25+,32-,39+,40-,41-/m1/s1 |
| SMILES | COC1=CC2=CC3=C(C(=O)O[C@H](C)C3)C(O)=C2C2=C1[C@H]1[C@@]3(O2)C(=NC2=C3C=CC3=C2C=CC(C)(C)O3)C(C)(C)[C@@H]2C[C@]34CCCN3C(=O)[C@@]21NC4=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Wang, Fuqian; Sarotti, Ariel M; Jiang, Guangde; Huguet-Tapia, José C; Zheng, Shao-Liang; Wu, Xiaohua; Li, Chunshun; Ding, Yousong; Cao, Shugeng Waikikiamides A-C: Complex Diketopiperazine Dimer and Diketopiperazine-Polyketide Hybrids from a Hawaiian Marine Fungal Strain Aspergillus sp. FM242. Organic Letters 2020 22 (11) 4408-4412. | ||
|---|---|---|---|
| DOI | 10.1021/acs.orglett.0c01411 | PMID | 32433885 |
