Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA032308
PROPERTIES
| NPAID | NPA032308 |
|---|---|
| CLUSTER ID | 193 |
| NODE ID | 181 |
| NAME | Waikikiamide C |
| FORMULA | C54H62N6O11 |
| MOLECULAR WEIGHT (Da) | 971.1210 |
| ACCURATE MASS (Da) | 970.4477 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | sp. FM242 |
| InChIKey | GKOOPMJBANLQKC-DXXYEOPISA-N |
| InChI | InChI=1S/C54H62N6O11/c1-46(2)20-17-26-29(69-46)16-14-28-35(26)60(43(63)52(28)25-53-32(48(52,5)6)24-51(41(61)55-53)19-11-21-57(51)44(53)64)71-40-37(67-9)34-30(70-49(40,7)8)15-13-27-33-38(59(66)36(27)34)47(3,4)31-23-50-18-12-22-58(50)45(65)54(31,39(33)68-10)56-42(50)62/h13-17,20,31-32,37,39-40,66H,11-12,18-19,21-25H2,1-10H3,(H,55,61)(H,56,62)/t31-,32-,37+,39-,40-,50-,51-,52+,53-,54+/m0/s1 |
| SMILES | CO[C@H]1C2=C(N(O)C3=C2C=CC2=C3[C@@H](OC)[C@H](ON3C(=O)[C@@]4(C[C@@]56NC(=O)[C@]7(CCCN7C5=O)C[C@H]6C4(C)C)C4=C3C3=C(C=C4)OC(C)(C)C=C3)C(C)(C)O2)C(C)(C)[C@@H]2C[C@]34CCCN3C(=O)[C@]12NC4=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 |
