Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA010511
PROPERTIES
| NPAID | NPA010511 |
|---|---|
| CLUSTER ID | 69 |
| NODE ID | 64 |
| NAME | 16α,25-dihydroxydehydroeburiconic acid |
| FORMULA | C31H46O5 |
| MOLECULAR WEIGHT (Da) | 498.7040 |
| ACCURATE MASS (Da) | 498.3345 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Poria |
| ORIGIN SPECIES | cocos |
| InChIKey | SQDBINMAYPNYDY-BBQKHDEISA-N |
| InChI | InChI=1S/C31H46O5/c1-18(28(4,5)36)9-10-19(26(34)35)25-22(32)17-31(8)21-11-12-23-27(2,3)24(33)14-15-29(23,6)20(21)13-16-30(25,31)7/h11,13,19,22-23,25,32,36H,1,9-10,12,14-17H2,2-8H3,(H,34,35)/t19?,22-,23+,25+,29-,30-,31+/m1/s1 |
| SMILES | C[C@]12CCC(=O)C([C@@H]1CC=C3C2=CC[C@]4([C@]3(C[C@H]([C@@H]4C(CCC(=C)C(C)(C)O)C(=O)O)O)C)C)(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Akihisa, Toshihiro; Nakamura, Yuji; Tokuda, Harukuni; Uchiyama, Emiko; Suzuki, Takashi; Kimura, Yumiko; Uchikura, Kazuo; Nishino, Hoyoku Triterpene acids from Poria cocos and their anti-tumor-promoting effects Journal of Natural Products 2007 70 (6) 948-953. | ||
|---|---|---|---|
| DOI | 10.1021/np0780001 | PMID | 17488130 |
