Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA009505
PROPERTIES
| NPAID | NPA009505 |
|---|---|
| CLUSTER ID | 3930 |
| NODE ID | 2903 |
| NAME | Malbranpyrrole D |
| FORMULA | C20H22ClNO3 |
| MOLECULAR WEIGHT (Da) | 359.8530 |
| ACCURATE MASS (Da) | 359.1288 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Malbranchea |
| ORIGIN SPECIES | sulfurea |
| InChIKey | IMYZEZLKASQAKN-MVQNEBOGSA-N |
| InChI | InChI=1S/C20H22ClNO3/c1-11(10-15-14(21)8-9-22-15)6-7-16-12(2)18-17(19(23)25-16)20(4,5)13(3)24-18/h6-10,13,22H,1-5H3/b7-6+,11-10+ |
| SMILES | CC1C(C2=C(O1)C(=C(OC2=O)/C=C/C(=C/C3=C(C=CN3)Cl)/C)C)(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Yang, Yu-Liang; Liao, Wen-Ying; Liu, Wan-Yun; Liaw, Chih-Chuang; Shen, Chia-Ning; Huang, Zih-You; Wu, Shih-Hsiung Discovery of new natural products by intact-cell mass spectrometry and LC-SPE-NMR: malbranpyrroles, novel polyketides from thermophilic fungus Malbranchea sulfurea Chemistry - A European Journal 2009 15 (43) 11573-11580. | ||
|---|---|---|---|
| DOI | 10.1002/chem.200901556 | PMID | 19768713 |
