Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA001938
PROPERTIES
| NPAID | NPA001938 |
|---|---|
| CLUSTER ID | 394 |
| NODE ID | 11 |
| NAME | Tryptoquialanine B |
| FORMULA | C26H24N4O7 |
| MOLECULAR WEIGHT (Da) | 504.4990 |
| ACCURATE MASS (Da) | 504.1645 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | digitatum |
| InChIKey | UNRJSEBGHKFHQK-NHYRABQJSA-N |
| InChI | InChI=1S/C26H24N4O7/c1-13-22(32)29-19-11-7-5-9-17(19)26(25(29)30(13)35)12-20(24(34)37-26)28-21(14(2)36-15(3)31)27-18-10-6-4-8-16(18)23(28)33/h4-11,13-14,20,25,35H,12H2,1-3H3/t13-,14-,20+,25-,26-/m0/s1 |
| SMILES | C[C@H]1C(=O)N2[C@@H](N1O)[C@]3(C[C@H](C(=O)O3)N4C(=O)C5=CC=CC=C5N=C4[C@H](C)OC(=O)C)C6=CC=CC=C62 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ariza MR; Larsen TO; Peterson BO; Duus JO; Barrero AF Penicillium digitatum metabolites on synthetic media and citrus fruits. Journal of Agricultural and Food Chemistry 2002 50 (22) 6361-6365. | ||
|---|---|---|---|
| DOI | 10.1021/jf020398d | PMID | 12381117 |
