Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA012767
PROPERTIES
| NPAID | NPA012767 |
|---|---|
| CLUSTER ID | 4605 |
| NODE ID | 2090 |
| NAME | Vermiculinic acid |
| FORMULA | C20H24O8 |
| MOLECULAR WEIGHT (Da) | 392.4040 |
| ACCURATE MASS (Da) | 392.1471 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | vermiculatum |
| InChIKey | BXDWMBHVQJFBPQ-DYAGYSKXSA-N |
| InChI | InChI=1S/C20H24O8/c1-14(21)5-3-4-6-16(23)9-12-20(27)28-18(13-15(2)22)10-7-17(24)8-11-19(25)26/h3,5,8-9,11-12,18H,4,6-7,10,13H2,1-2H3,(H,25,26)/b5-3+,11-8+,12-9+/t18-/m0/s1 |
| SMILES | CC(=O)C[C@H](CCC(=O)/C=C/C(=O)O)OC(=O)/C=C/C(=O)CC/C=C/C(=O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Proksa, B; Fuska, J Role of aliphatic acids in the biosynthesis of vermiculin in penicillium vermiculatum Die Pharmazie 1995 50 (3) 215-216. | ||
|---|---|---|---|
| DOI | 10.5281/zenodo.3541289 | PMID | 7732055 |
