Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027792
PROPERTIES
| NPAID | NPA027792 |
|---|---|
| CLUSTER ID | 240 |
| NODE ID | 220 |
| NAME | Brassicicene R |
| FORMULA | C21H32O5 |
| MOLECULAR WEIGHT (Da) | 364.4820 |
| ACCURATE MASS (Da) | 364.2250 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Alternaria |
| ORIGIN SPECIES | brassicicola |
| InChIKey | XZWYSCRACMMLEU-DZOQIKRRSA-N |
| InChI | InChI=1S/C21H32O5/c1-11(2)17-14-8-16(22)12(3)13-6-7-21(25,10-26-5)15(13)9-20(14,4)19(24)18(17)23/h9,11-13,16,19,22,24-25H,6-8,10H2,1-5H3/t12-,13+,16+,19-,20-,21+/m1/s1 |
| SMILES | COC[C@@]1(O)CC[C@@H]2C1=C[C@]1(C)C(=C(C(C)C)C(=O)[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 |
