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Basic information
- CAS
123134-20-3- Standard SMILES
O=C(Oc1c(O)cc(C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H]2OC(=O)c2cc(O)c(O)c(O)c2)cc1O)c1cc(O)c(O)c(O)c1- InChIKey
OFTCZZCLDWTQNJ-JUUXLJTDSA-N- Molecular formula
- C35H28O22
- Average molar mass
- 800.587 g/mol
- Monoisotopic mass
- 800.10722254
Names & identifiers
- Preferred name
- 3-({3,5-Dihydroxy-4-[(3,4,5-trihydroxybenzoyl)oxy]benzoyl}oxy)-1-hydroxy-4,5-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexane-1-carboxylic acid
- IUPAC
- (1R,3R,4S,5R)-3-({3,5-Dihydroxy-4-[(3,4,5-trihydroxybenzoyl)oxy]benzoyl}oxy)-1-hydroxy-4,5-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexane-1-carboxylic acid
Database identifiers
- CAS
123134-20-3- PubChem CID
- 122091
- DTXSID
DTXSID30924381- ChEMBL
CHEMBL288498
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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