Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA002904
PROPERTIES
NPAID | NPA002904 |
---|---|
CLUSTER ID | 69 |
NODE ID | 64 |
NAME | Inonotusane C |
FORMULA | C27H42O2 |
MOLECULAR WEIGHT (Da) | 398.6310 |
ACCURATE MASS (Da) | 398.3185 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Inonotus |
ORIGIN SPECIES | obliquus |
InChIKey | FFAHKEMMBZQSGI-BYIYCMQOSA-N |
InChI | InChI=1S/C27H42O2/c1-18(8-7-17-28)19-11-15-27(6)21-9-10-22-24(2,3)23(29)13-14-25(22,4)20(21)12-16-26(19,27)5/h7-8,17-19,22-23,29H,9-16H2,1-6H3/b8-7+/t18-,19-,22+,23+,25-,26-,27+/m1/s1 |
SMILES | C[C@H](/C=C/C=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 |
ORIGINAL ISOLATION REFERENCE
CITATION | Zhao, Fenqin; Mai, Qinqin; Ma, Jianghao; Xu, Mei; Wang, Xue; Cui, Tiantian; Qiu, Feng; Han, Guang Triterpenoids from Inonotus obliquus and their antitumor activities. Fitoterapia 2015 101 34-40. | ||
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DOI | 10.1016/j.fitote.2014.12.005 | PMID | 25542686 |