Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA005179
PROPERTIES
NPAID | NPA005179 |
---|---|
CLUSTER ID | 69 |
NODE ID | 64 |
NAME | Poricoic acid E |
FORMULA | C30H44O6 |
MOLECULAR WEIGHT (Da) | 500.6760 |
ACCURATE MASS (Da) | 500.3138 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Poria |
ORIGIN SPECIES | cocos |
InChIKey | BAMOLJDIJFNXHV-RDDWBLBKSA-N |
InChI | InChI=1S/C30H44O6/c1-18(2)21-10-11-23-22(28(21,4)14-13-25(33)34)12-15-29(5)26(24(32)16-30(23,29)6)20(27(35)36)9-7-8-19(3)17-31/h8,11-12,20-21,24,26,31-32H,1,7,9-10,13-17H2,2-6H3,(H,33,34)(H,35,36)/b19-8-/t20?,21-,24+,26-,28-,29+,30-/m0/s1 |
SMILES | CC(=C)[C@@H]1CC=C2C(=CC[C@]3([C@]2(C[C@H]([C@@H]3C(CC/C=C(/C)\CO)C(=O)O)O)C)C)[C@@]1(C)CCC(=O)O |
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. | ||
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DOI | 10.1016/0031-9422(95)00110-s | PMID | - |