Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033042
PROPERTIES
| NPAID | NPA033042 |
|---|---|
| CLUSTER ID | 9528 |
| NODE ID | 6380 |
| NAME | Flavunoidine |
| FORMULA | C30H53N3O3 |
| MOLECULAR WEIGHT (Da) | 503.7720 |
| ACCURATE MASS (Da) | 503.4087 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | flavus |
| InChIKey | ANNRITYMAUJQPW-ZYBQPFPISA-N |
| InChI | InChI=1S/C30H53N3O3/c1-20-11-12-23-29(5)25(31-15-9-8-10-16-33(6)7)21-17-30(20,23)24(18-28(21,4)36-29)35-26(34)22-13-14-27(2,3)19-32-22/h20-25,31-32H,8-19H2,1-7H3/t20-,21-,22+,23-,24?,25+,28?,29+,30-/m1/s1 |
| SMILES | C[C@@H]1CC[C@@H]2[C@]3(C)OC4(C)CC(OC(=O)[C@@H]5CCC(C)(C)CN5)[C@@]21C[C@@H]4[C@@H]3NCCCCCN(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Yee, Danielle A; Kakule, Thomas B; Cheng, Wei; Chen, Mengbin; Chong, Christine T Y; Hai, Yang; Hang, Leibniz F; Hung, Yiu-Sun; Liu, Nicholas; Ohashi, Masao; Okorafor, Ikechukwu C; Song, Yongxiang; Tang, Mancheng; Zhang, Zhuan; Tang, Yi Genome Mining of Alkaloidal Terpenoids from a Hybrid Terpene and Nonribosomal Peptide Biosynthetic Pathway. Journal of the American Chemical Society 2020 142 (2) 710-714. | ||
|---|---|---|---|
| DOI | 10.1021/jacs.9b13046 | PMID | 31885262 |
