Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA005082
PROPERTIES
NPAID | NPA005082 |
---|---|
CLUSTER ID | 69 |
NODE ID | 64 |
NAME | 3b,5a,6a-Trihydroxyergosta-7,22-diene 6-O-benzoate |
FORMULA | C35H50O4 |
MOLECULAR WEIGHT (Da) | 534.7810 |
ACCURATE MASS (Da) | 534.3709 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Agaricus |
ORIGIN SPECIES | blazei |
InChIKey | QPEMNZQKGBYUMV-LQMRAOCTSA-N |
InChI | InChI=1S/C35H50O4/c1-22(2)23(3)12-13-24(4)28-14-15-29-27-20-31(39-32(37)25-10-8-7-9-11-25)35(38)21-26(36)16-19-34(35,6)30(27)17-18-33(28,29)5/h7-13,20,22-24,26,28-31,36,38H,14-19,21H2,1-6H3/b13-12+/t23-,24+,26-,28+,29?,30?,31-,33+,34+,35-/m0/s1 |
SMILES | C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CCC2[C@@]1(CCC3C2=C[C@@H]([C@@]4([C@@]3(CC[C@@H](C4)O)C)O)OC(=O)C5=CC=CC=C5)C |
ORIGINAL ISOLATION REFERENCE
CITATION | Ueguchi, Yumi; Matsunami, Katsuyoshi; Otsuka, Hideaki; Kondo, Kazunari Constituents of cultivated Agaricus blazei Journal of Natural Medicines 2011 65 (2) 307-312. | ||
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DOI | 10.1007/s11418-010-0495-5 | PMID | 21240679 |