Scientific information on chemical compounds included in crude drugs
Smitilbin
|
| Molecular formula | C21H22O11 |
| Average molecular mass (Molecular weight) |
450.4 |
| Exact molecular mass | 450.116212 |
| [M+H]+ | 451.124 |
| [M-H]- | 449.108 |
| CAS | |
| NIKKAJI | |
| PUBCHEM No. | 9889962 |
| Crude drug | Smilax Rhizome |
| IUPAC_NAME | (3S)-2-(3,5-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one |
| Remarks | InChIKey (PubChem): HBHVCPGEAYWNOG-DIKDMFKNSA-N |
