Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA008756
PROPERTIES
NPAID | NPA008756 |
---|---|
CLUSTER ID | 3705 |
NODE ID | 2786 |
NAME | AK-toxin I |
FORMULA | C23H27NO6 |
MOLECULAR WEIGHT (Da) | 413.4700 |
ACCURATE MASS (Da) | 413.1838 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Alternaria |
ORIGIN SPECIES | kikuchiana |
InChIKey | HGSOUJPIFSDBKJ-OUYMFVGOSA-N |
InChI | InChI=1S/C23H27NO6/c1-16(18-11-7-6-8-12-18)21(24-17(2)25)22(28)30-19(23(3)15-29-23)13-9-4-5-10-14-20(26)27/h4-14,16,19,21H,15H2,1-3H3,(H,24,25)(H,26,27)/b5-4-,13-9+,14-10+ |
SMILES | CC(C1=CC=CC=C1)C(C(=O)OC(/C=C/C=C\C=C\C(=O)O)C2(CO2)C)NC(=O)C |
ORIGINAL ISOLATION REFERENCE
CITATION | Nakashima; Ueno; Fukami Structure elucidation of AK-toxins, host-specific phytotoxic metabolites produced by Alternaria kikuchiana Tanaka Tetrahedron Letters 1982 23 (43) 4469-4472. | ||
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DOI | 10.1016/s0040-4039(00)85630-0 | PMID | - |