Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA023834
PROPERTIES
| NPAID | NPA023834 |
|---|---|
| CLUSTER ID | 248 |
| NODE ID | 11 |
| NAME | Asperphenin B |
| FORMULA | C42H61N5O11 |
| MOLECULAR WEIGHT (Da) | 811.9740 |
| ACCURATE MASS (Da) | 811.4368 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | sp. |
| InChIKey | FETSGBKTQVYEAV-OEKFVFTMSA-N |
| InChI | InChI=1S/C42H61N5O11/c1-5-6-7-8-9-10-11-13-27(48)22-37(55)46-30(23-36(44)54)42(58)47-29(16-17-35(43)53)41(57)45-26(18-24(2)3)21-33(51)28-19-25(4)20-34(52)38(28)40(56)39-31(49)14-12-15-32(39)50/h12,14-15,19-20,24,26-27,29-30,48-50,52H,5-11,13,16-18,21-23H2,1-4H3,(H2,43,53)(H2,44,54)(H,45,57)(H,46,55)(H,47,58)/t26-,27+,29-,30-/m0/s1 |
| SMILES | CCCCCCCCC[C@H](CC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)CC(=O)C1=CC(=CC(=C1C(=O)C2=C(C=CC=C2O)O)O)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Liao, Lijuan; Bae, Song Yi; Won, Tae Hyung; You, Minjung; Kim, Seong-Hwan; Oh, Dong-Chan; Lee, Sang Kook; Oh, Ki-Bong; Shin, Jongheon Asperphenins A and B, Lipopeptidyl Benzophenones from a Marine-Derived Aspergillus sp. Fungus Organic Letters 2017 19 (8) 2066-2069. | ||
|---|---|---|---|
| DOI | 10.1021/acs.orglett.7b00661 | PMID | 28387122 |
