Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA026330
PROPERTIES
| NPAID | NPA026330 |
|---|---|
| CLUSTER ID | 526 |
| NODE ID | 471 |
| NAME | Roridoxin B |
| FORMULA | C31H40O12 |
| MOLECULAR WEIGHT (Da) | 604.6490 |
| ACCURATE MASS (Da) | 604.2520 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Myrothecium |
| ORIGIN SPECIES | roridum |
| InChIKey | GHWWRFXNSNYZRJ-JTXBIYHLSA-N |
| InChI | InChI=1S/C31H40O12/c1-5-37-31-9-7-6-8-23(33)42-20-13-22-30(16-39-30)27(20,4)28(14-19(40-18(3)32)17(2)12-21(28)41-22)15-36-25(34)24-29(43-24,26(31)35)10-11-38-31/h6,8,12,19-22,24,26,35H,5,7,9-11,13-16H2,1-4H3/b8-6-/t19-,20+,21+,22+,24+,26+,27+,28+,29-,30-,31-/m0/s1 |
| SMILES | CCO[C@@]12CC/C=C\C(=O)O[C@@H]3C[C@H]4O[C@@H]5C=C(C)[C@@H](OC(C)=O)C[C@]5(COC(=O)[C@H]5O[C@]5(CCO1)[C@H]2O)[C@]3(C)[C@]41CO1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Li, Tian-Xiao; Xiong, Ya-Mei; Chen, Xin; Yang, Ya-Nan; Wang, Ying; Jia, Xue-Wei; Yang, Xue-Peng; Tan, Lan-Lan; Xu, Chun-Ping Antifungal macrocyclic trichothecenes from the insect-Associated fungus myrothecium roridum Journal of Agricultural and Food Chemistry 2019 67 (47) 13033-13039. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jafc.9b04507 | PMID | 31730339 |
