Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000851777 | Gold | 1 |
| CCMSLIB00012130980 | Gold | 4 |
| CCMSLIB00012130981 | Gold | 4 |
| CCMSLIB00009970777 | Gold | 4 |
| CCMSLIB00009970778 | Gold | 4 |
COMPOUND NPA003590
PROPERTIES
| NPAID | NPA003590 |
|---|---|
| CLUSTER ID | 117 |
| NODE ID | 111 |
| NAME | Paraherquamide |
| FORMULA | C28H35N3O5 |
| MOLECULAR WEIGHT (Da) | 493.6040 |
| ACCURATE MASS (Da) | 493.2577 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | paraherquei |
| InChIKey | UVZZDDLIOJPDKX-ITKQZBBDSA-N |
| InChI | InChI=1S/C28H35N3O5/c1-23(2)10-12-35-20-17(36-23)8-7-16-19(20)29-21(32)27(16)14-26-15-31-11-9-25(5,34)28(31,22(33)30(26)6)13-18(26)24(27,3)4/h7-8,10,12,18,34H,9,11,13-15H2,1-6H3,(H,29,32)/t18-,25+,26+,27+,28-/m0/s1 |
| SMILES | C[C@]1(CCN2[C@]13C[C@@H]4[C@](C2)(C[C@@]5(C4(C)C)C6=C(C7=C(C=C6)OC(C=CO7)(C)C)NC5=O)N(C3=O)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Yamazaki; Okuyama; Kobayashi; Inoue The structure of paraherquamide, a toxic metabolite from Penicillium paraherquei Tetrahedron Letters 1981 22 (2) 135-136. | ||
|---|---|---|---|
| DOI | 10.1016/0040-4039(81)80168-2 | PMID | - |
