Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA024691
PROPERTIES
NPAID | NPA024691 |
---|---|
CLUSTER ID | 246 |
NODE ID | 226 |
NAME | Macrophorin A |
FORMULA | C22H32O4 |
MOLECULAR WEIGHT (Da) | 360.4940 |
ACCURATE MASS (Da) | 360.2301 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Macrophoma |
ORIGIN SPECIES | sp. |
InChIKey | OOIYDCZXWGFDDL-VKUFQHAMSA-N |
InChI | InChI=1S/C22H32O4/c1-13-6-7-16-20(2,3)8-5-9-21(16,4)15(13)11-22-17(24)10-14(12-23)18(25)19(22)26-22/h10,15-16,18-19,23,25H,1,5-9,11-12H2,2-4H3/t15-,16-,18+,19+,21+,22-/m0/s1 |
SMILES | C[C@]12CCCC([C@@H]1CCC(=C)[C@@H]2C[C@]34[C@H](O3)[C@@H](C(=CC4=O)CO)O)(C)C |
ORIGINAL ISOLATION REFERENCE
CITATION | SASSA, T; YOSHIKOSHI, H New Terpene-linked Cyclohexenone Epoxides, Macrophorin A, B and C, Produced by the Fungus Caused Macrophoma Fruit Rot of Apple Agricultural and Biological Chemistry 1983 47 (1) 187-189. | ||
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DOI | 10.1271/bbb1961.47.187 | PMID | - |