Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA012652
PROPERTIES
NPAID | NPA012652 |
---|---|
CLUSTER ID | 807 |
NODE ID | 700 |
NAME | Scabronine J |
FORMULA | C21H30O4 |
MOLECULAR WEIGHT (Da) | 346.4670 |
ACCURATE MASS (Da) | 346.2144 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Sarcodon |
ORIGIN SPECIES | scabrosus |
InChIKey | YNWVJYUTUMCIQZ-ISGZNDKYSA-N |
InChI | InChI=1S/C21H30O4/c1-14(11-22)16-6-7-21(13-24)9-8-20(2)17(19(16)21)5-4-15(12-23)10-18(20)25-3/h4-5,12,14,18,22,24H,6-11,13H2,1-3H3/t14?,18-,20+,21+/m0/s1 |
SMILES | CC(CO)C1=C2C3=CC=C(C[C@@H]([C@@]3(CC[C@]2(CC1)CO)C)OC)C=O |
ORIGINAL ISOLATION REFERENCE
CITATION | Ma, Bing-Ji; Ruan, Yuan Scabronine J, a New Cyathane-type Diterpenoid from the Basidiomycete Sarcodon scabrosus Journal of Antibiotics 2008 61 (2) 86-88. | ||
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DOI | 10.1038/ja.2008.115 | PMID | 18408328 |