Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA006537
PROPERTIES
NPAID | NPA006537 |
---|---|
CLUSTER ID | 1099 |
NODE ID | 163 |
NAME | Inonotusol E |
FORMULA | C30H48O5 |
MOLECULAR WEIGHT (Da) | 488.7090 |
ACCURATE MASS (Da) | 488.3502 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Inonotus |
ORIGIN SPECIES | obliquus |
InChIKey | NCMHHGGEBVBXDI-HYSNDPNRSA-N |
InChI | InChI=1S/C30H48O5/c1-26(2)21-14-19(31)24-23(28(21,5)12-11-22(26)33)20(32)15-30(7)17(10-13-29(24,30)6)16-8-9-18(25(16)34)27(3,4)35/h16-18,20-22,25,32-35H,8-15H2,1-7H3/t16-,17+,18-,20-,21?,22-,25+,28+,29+,30-/m1/s1 |
SMILES | C[C@]12CC[C@H](C(C1CC(=O)C3=C2[C@@H](C[C@]4([C@]3(CC[C@H]4[C@H]5CC[C@H]([C@H]5O)C(C)(C)O)C)C)O)(C)C)O |
ORIGINAL ISOLATION REFERENCE
CITATION | Liu, Chao; Zhao, Cui; Pan, Hong-Hui; Kang, Jie; Yu, Xiong-Tao; Wang, Hong-Qing; Li, Bao-Ming; Xie, Yi-Zhen; Chen, Ruo-Yun Chemical constituents from Inonotus obliquus and their biological activities Journal of Natural Products 2014 77 (1) 35-41. | ||
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DOI | 10.1021/np400552w | PMID | 24359303 |