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Basic information
- CAS
22888-70-6- Standard SMILES
COc1cc([C@H]2Oc3cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)ccc3O[C@@H]2CO)ccc1O- InChIKey
SEBFKMXJBCUCAI-HKTJVKLFSA-N- Molecular formula
- C25H22O10
- Average molar mass
- 482.441 g/mol
- Monoisotopic mass
- 482.1212969
Names & identifiers
- Preferred name
- Silybin
- IUPAC
- (2R,3R)-3,5,7-Trihydroxy-2-[(2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydro-4H-1-benzopyran-4-one
Database identifiers
- CAS
22888-70-6- PubChem CID
- 31553
- DTXSID
DTXSID8026018- ChEMBL
CHEMBL431701、CHEMBL9509- ChEBI
CHEBI:9144- UNII
- 33X338MNE4
- EC Number
- 245-302-5
- Nikkaji
- J11.473A
Related reactions
1 records
Compound notes
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