Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA004537
PROPERTIES
NPAID | NPA004537 |
---|---|
CLUSTER ID | 36 |
NODE ID | 35 |
NAME | Hypsiziprenol-B10 |
FORMULA | C50H94O7 |
MOLECULAR WEIGHT (Da) | 807.2950 |
ACCURATE MASS (Da) | 806.7000 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Hypsizygus |
ORIGIN SPECIES | marmoreus |
InChIKey | PGKWOUQKDDYJEI-AUNPKQNBSA-N |
InChI | InChI=1S/C50H94O7/c1-13-44(6,51)28-16-26-42(4)24-14-25-43(5)27-17-30-46(8,53)32-19-34-48(10,55)36-21-38-50(12,57)40-22-39-49(11,56)37-20-35-47(9,54)33-18-31-45(7,52)29-15-23-41(2)3/h13,23,25-26,51-57H,1,14-22,24,27-40H2,2-12H3/b42-26+,43-25+ |
SMILES | CC(=CCCC(C)(CCCC(C)(CCCC(C)(CCCC(C)(CCCC(C)(CCCC(C)(CCC/C(=C/CC/C(=C/CCC(C)(C=C)O)/C)/C)O)O)O)O)O)O)C |
ORIGINAL ISOLATION REFERENCE
CITATION | Sawabe, A; Morita, M; Kiso, T; Kishine, H; Ohtsubo, Y; Ouchi, S; Okamoto, T Structural analyses of a precursory substance of bitterness: new polyisoprenepolyols isolated from an edible mushroom (Hypsizigusmarmoreus) by fast atom bombardment mass spectrometry Journal of Agricultural and Food Chemistry 1999 47 (2) 588-593. | ||
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DOI | 10.1021/jf980843y | PMID | 10563937 |