Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA015854
PROPERTIES
NPAID | NPA015854 |
---|---|
CLUSTER ID | 36 |
NODE ID | 35 |
NAME | Hypsiziprenol-B12 |
FORMULA | C60H114O9 |
MOLECULAR WEIGHT (Da) | 979.5630 |
ACCURATE MASS (Da) | 978.8463 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Hypsizygus |
ORIGIN SPECIES | marmoreus |
InChIKey | JXAAXOPDHDGIKS-XGKWXWRRSA-N |
InChI | InChI=1S/C60H114O9/c1-15-52(6,61)32-18-30-50(4)28-16-29-51(5)31-19-34-54(8,63)36-21-38-56(10,65)40-23-42-58(12,67)44-25-46-60(14,69)48-26-47-59(13,68)45-24-43-57(11,66)41-22-39-55(9,64)37-20-35-53(7,62)33-17-27-49(2)3/h15,27,29-30,61-69H,1,16-26,28,31-48H2,2-14H3/b50-30+,51-29+ |
SMILES | CC(=CCCC(C)(CCCC(C)(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)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 |