Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA026331
PROPERTIES
| NPAID | NPA026331 |
|---|---|
| CLUSTER ID | 526 |
| NODE ID | 471 |
| NAME | Roridoxin C |
| FORMULA | C30H38O12 |
| MOLECULAR WEIGHT (Da) | 590.6220 |
| ACCURATE MASS (Da) | 590.2363 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Myrothecium |
| ORIGIN SPECIES | roridum |
| InChIKey | NIIUXENZLDFNHW-NJRWAKRPSA-N |
| InChI | InChI=1S/C30H38O12/c1-16-11-20-27(13-18(16)39-17(2)31)14-36-24(33)23-28(42-23)9-10-37-30(35-4,25(28)34)8-6-5-7-22(32)41-19-12-21(40-20)29(15-38-29)26(19,27)3/h5,7,11,18-21,23,25,34H,6,8-10,12-15H2,1-4H3/b7-5-/t18-,19+,20+,21+,23+,25+,26+,27+,28-,29-,30-/m0/s1 |
| SMILES | CO[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 |
