Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA019535
PROPERTIES
NPAID | NPA019535 |
---|---|
CLUSTER ID | 4542 |
NODE ID | 3323 |
NAME | Xeromphalinone B |
FORMULA | C15H18O3 |
MOLECULAR WEIGHT (Da) | 246.3060 |
ACCURATE MASS (Da) | 246.1256 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Xeromphalina |
ORIGIN SPECIES | sp. |
InChIKey | MFGSTGRFOHGVEG-DTFMEENKSA-N |
InChI | InChI=1S/C15H18O3/c1-8-11(17)12-15(18-12)5-9-4-13(2,3)6-10(9)14(8,15)7-16/h7,9-10,12H,1,4-6H2,2-3H3/t9-,10-,12-,14+,15-/m1/s1 |
SMILES | CC1(C[C@@H]2C[C@]34[C@H](O3)C(=O)C(=C)[C@]4([C@@H]2C1)C=O)C |
ORIGINAL ISOLATION REFERENCE
CITATION | Liermann, Johannes C.; Schueffler, Anja; Wollinsky, Beate; Birnbacher, Judith; Kolshorn, Heinz; Anke, Timm; Opatz, Till Hirsutane-type sesquiterpenes with uncommon modifications from three basidiomycetes Journal of Organic Chemistry 2010 75 (9) 2955-2961. | ||
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DOI | 10.1021/jo100202b | PMID | 20345148 |