Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA029496
PROPERTIES
| NPAID | NPA029496 |
|---|---|
| CLUSTER ID | 5482 |
| NODE ID | 138 |
| NAME | Pestalotiphain C |
| FORMULA | C18H30O5 |
| MOLECULAR WEIGHT (Da) | 326.4330 |
| ACCURATE MASS (Da) | 326.2093 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Pestalotiopsis |
| ORIGIN SPECIES | hainanensis |
| InChIKey | FBYOODMLZCFCSM-MHHUQZRKSA-N |
| InChI | InChI=1S/C18H30O5/c1-11-6-14(22-5)8-13(10-19)15-9-17(3,4)18(15,21)16(7-11)23-12(2)20/h6,13-16,19,21H,7-10H2,1-5H3/b11-6+/t13-,14+,15+,16-,18+/m0/s1 |
| SMILES | CO[C@@H]1/C=C(\C)C[C@H](OC(C)=O)[C@]2(O)[C@H](CC2(C)C)[C@H](CO)C1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Bai, Jian; Chen, Minghua; Hu, Youcai; Liu, Bingyu; Mou, Yanhua; Yan, Daojiang; Zhang, Chen; Zhang, Le; Zhang, Yalong Highly Oxygenated Caryophyllene-Type Sesquiterpenes from a Plant-Associated Fungus, Pestalotiopsis hainanensis, and Their Biosynthetic Gene Cluster Journal of Natural Products 2020 83 (11) 3262-3269. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jnatprod.0c00501 | PMID | 33064488 |
