Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027795
PROPERTIES
| NPAID | NPA027795 |
|---|---|
| CLUSTER ID | 240 |
| NODE ID | 220 |
| NAME | Brassicicene V |
| FORMULA | C21H34O4 |
| MOLECULAR WEIGHT (Da) | 350.4990 |
| ACCURATE MASS (Da) | 350.2457 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Alternaria |
| ORIGIN SPECIES | brassicicola |
| InChIKey | LJCHDOYLNWEGEZ-RHCSBPBQSA-N |
| InChI | InChI=1S/C21H34O4/c1-12(2)15-8-19(23)20(4)10-17-14(6-7-21(17,24)11-25-5)13(3)18(22)9-16(15)20/h10,12-14,18-19,22-24H,6-9,11H2,1-5H3/t13-,14+,18+,19-,20-,21+/m1/s1 |
| SMILES | COC[C@@]1(O)CC[C@@H]2C1=C[C@]1(C)C(=C(C(C)C)C[C@H]1O)C[C@H](O)[C@@H]2C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Li, Fengli; Sun, Weiguang; Guan, Jiankun; Lu, Yuanyuan; Lin, Shuang; Zhang, Sitian; Gao, Weixi; Liu, Junjun; Du, Guang; Wang, Jianping; Zhu, Hucheng; Qi, Changxing; Hu, Zhengxi; Zhang, Yonghui Anti-inflammatory fusicoccane-type diterpenoids from the phytopathogenic fungus: Alternaria brassicicola Organic & Biomolecular Chemistry 2018 16 (45) 8751-8760. | ||
|---|---|---|---|
| DOI | 10.1039/c8ob02353k | PMID | 30398284 |
