Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA017446
PROPERTIES
| NPAID | NPA017446 |
|---|---|
| CLUSTER ID | 69 |
| NODE ID | 64 |
| NAME | Poricoic acid BM |
| FORMULA | C31H46O5 |
| MOLECULAR WEIGHT (Da) | 498.7040 |
| ACCURATE MASS (Da) | 498.3345 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Poria |
| ORIGIN SPECIES | cocos |
| InChIKey | KBQBNLHZTLWXML-KGXQETAESA-N |
| InChI | InChI=1S/C31H46O5/c1-19(2)10-9-11-21(28(34)35)27-25(32)18-31(7)24-13-12-22(20(3)4)29(5,16-15-26(33)36-8)23(24)14-17-30(27,31)6/h10,13-14,21-22,25,27,32H,3,9,11-12,15-18H2,1-2,4-8H3,(H,34,35)/t21?,22-,25+,27-,29-,30+,31-/m0/s1 |
| SMILES | CC(=CCCC([C@H]1[C@@H](C[C@@]2([C@@]1(CC=C3C2=CC[C@H]([C@]3(C)CCC(=O)OC)C(=C)C)C)C)O)C(=O)O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Takaaki Tai; Tetsuro Shingu; Tohru Kikuchi; Yasuhiro Tezuka; Akira Akahori Triterpenes from the surface layer of Poria cocos Phytochemistry 1995 39 (5) 1165-1169. | ||
|---|---|---|---|
| DOI | 10.1016/0031-9422(95)00110-s | PMID | - |
