Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA032902
PROPERTIES
| NPAID | NPA032902 |
|---|---|
| CLUSTER ID | 5490 |
| NODE ID | 3902 |
| NAME | Varicidin A |
| FORMULA | C21H29NO5 |
| MOLECULAR WEIGHT (Da) | 375.4650 |
| ACCURATE MASS (Da) | 375.2046 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | variabile |
| InChIKey | SKXOEWAUSCYCSA-YDVRFCCISA-N |
| InChI | InChI=1S/C21H29NO5/c1-4-11(2)17-19(24)16(20(25)22(17)3)18(23)15-13-8-6-5-7-12(13)9-10-14(15)21(26)27/h9-15,17,23H,4-8H2,1-3H3,(H,26,27)/t11-,12-,13-,14+,15+,17-/m0/s1 |
| SMILES | CC[C@H](C)[C@H]1C(=O)C(=C(O)[C@@H]2[C@H]3CCCC[C@H]3C=C[C@H]2C(=O)O)C(=O)N1C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Tan, Dan; Jamieson, Cooper S.; Ohashi, Masao; Tang, Man-Cheng; Houk; Tang, Yi Genome-Mined Diels-Alderase Catalyzes Formation of the cis-Octahydrodecalins of Varicidin A and B Journal of the American Chemical Society 2019 141 (2) 769-773. | ||
|---|---|---|---|
| DOI | 10.1021/jacs.8b12010 | PMID | 30609896 |
