Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA024732
PROPERTIES
NPAID | NPA024732 |
---|---|
CLUSTER ID | 863 |
NODE ID | 747 |
NAME | Melleolide C |
FORMULA | C24H32O8 |
MOLECULAR WEIGHT (Da) | 448.5120 |
ACCURATE MASS (Da) | 448.2097 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Armillaria |
ORIGIN SPECIES | mellae |
InChIKey | XXMVVKDVYBWXPQ-QSNWBFGMSA-N |
InChI | InChI=1S/C24H32O8/c1-12-6-14(31-5)7-15(26)17(12)20(28)32-16-9-22(4)18-19(27)21(2,3)11-23(18,29)8-13(10-25)24(16,22)30/h6-8,16,18-19,25-27,29-30H,9-11H2,1-5H3/t16-,18-,19-,22-,23+,24+/m1/s1 |
SMILES | CC1=CC(=CC(=C1C(=O)O[C@@H]2C[C@]3([C@@]2(C(=C[C@]4([C@@H]3[C@H](C(C4)(C)C)O)O)CO)O)C)O)OC |
ORIGINAL ISOLATION REFERENCE
CITATION | Arnone, A;Cardillo, R; Nasini, G Structures of melleolides B-D, three antibacterial sesquiterpenoids from Armillaria mellea Phytochemistry 1986 25 (2) 471-474. | ||
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DOI | 10.1016/S0031-9422(00)85503-X | PMID | - |