Compounds
ID | Spectrum Quality | Annotated Name |
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COMPOUND NPA009783
PROPERTIES
NPAID | NPA009783 |
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CLUSTER ID | 2112 |
NODE ID | 1688 |
NAME | PR-toxin |
FORMULA | C17H20O6 |
MOLECULAR WEIGHT (Da) | 320.3410 |
ACCURATE MASS (Da) | 320.1260 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Penicillium |
ORIGIN SPECIES | roqueforti |
InChIKey | GSPFUBNBRPVALJ-UHFFFAOYSA-N |
InChI | InChI=1S/C17H20O6/c1-8-12(21-9(2)19)14-13(22-14)10-5-11(20)17(6-15(8,10)3)16(4,7-18)23-17/h5,7-8,12-14H,6H2,1-4H3 |
SMILES | CC1C(C2C(O2)C3=CC(=O)C4(CC13C)C(O4)(C)C=O)OC(=O)C |
ORIGINAL ISOLATION REFERENCE
CITATION | Wei, Ru-dong; Schnoes, HK; Hart, PA; Strong, FM The structure of PR toxin, a mycotoxin from Penicillium roqueforti Tetrahedron 1975 31 (2) 109-114. | ||
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DOI | 10.1016/0040-4020(75)85003-4 | PMID | - |