Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA000142
PROPERTIES
NPAID | NPA000142 |
---|---|
CLUSTER ID | 120 |
NODE ID | 114 |
NAME | Phomadecalin B |
FORMULA | C17H22O5 |
MOLECULAR WEIGHT (Da) | 306.3580 |
ACCURATE MASS (Da) | 306.1467 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Phoma |
ORIGIN SPECIES | sp. NRRL 25697 |
InChIKey | YSHGMEBFNCQBIY-GPJUBECRSA-N |
InChI | InChI=1S/C17H22O5/c1-9(8-21-11(3)18)17-14(20)7-12-5-6-13(19)10(2)16(12,4)15(17)22-17/h5-7,10,13-15,19-20H,1,8H2,2-4H3/t10-,13+,14+,15+,16+,17-/m0/s1 |
SMILES | C[C@H]1[C@@H](C=CC2=C[C@H]([C@]3([C@@H]([C@]12C)O3)C(=C)COC(=O)C)O)O |
ORIGINAL ISOLATION REFERENCE
CITATION | Che, Yongsheng; Gloer, James B.; Wicklow, Donald T. Phomadecalins A-D and phomapentenone A: New bioactive metabolites from Phoma sp. NRRL 25697, a fungal colonist of Hypoxylon stromata Journal of Natural Products 2002 65 (3) 399-402. | ||
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DOI | 10.1021/np010519o | PMID | 11908990 |