Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027925
PROPERTIES
| NPAID | NPA027925 |
|---|---|
| CLUSTER ID | 1868 |
| NODE ID | 1504 |
| NAME | Nitrobisabosqual A |
| FORMULA | C25H33NO5 |
| MOLECULAR WEIGHT (Da) | 427.5410 |
| ACCURATE MASS (Da) | 427.2359 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Stachybotrys |
| ORIGIN SPECIES | sp. PH30583 |
| InChIKey | ABUXPUHILMSEAW-LEDYHFPJSA-N |
| InChI | InChI=1S/C25H33NO5/c1-14(2)6-5-8-25(4)17-7-9-24(3,29)22-19(17)20-18(31-25)12-15-16(21(20)30-22)13-26(10-11-27)23(15)28/h6,12,17,19,22,27,29H,5,7-11,13H2,1-4H3/t17-,19+,22-,24+,25+/m1/s1 |
| SMILES | CC(C)=CCC[C@]1(C)OC2=C3C(=C4CN(CCO)C(=O)C4=C2)O[C@@H]2[C@H]3[C@H]1CC[C@]2(C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ruan, Bao-Hui; Li, Shu-Quan; Yang, Xue-Qiong; Yang, Ya-Bin; Wu, Ya-Mei; Shi, Li-Jiao; Yin, Hai-Yue; Zhou, Hao; Ding, Zhong-Tao New bisabosquals from stachybotrys sp. PH30583 elicited on solid media Molecules 2018 23 (7) None. | ||
|---|---|---|---|
| DOI | 10.3390/molecules23071577 | PMID | 29966225 |
