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Basic information
- CAS
171828-61-8- Standard SMILES
O=C(O)CC(=O)O[C@@H]1[C@@H](O)[C@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)O[C@H](CO)[C@H]1O- InChIKey
AWPCCUSBXWEBBS-FYFHWUFJSA-O- Molecular formula
- C24H23O14+
- Average molar mass
- 535.434 g/mol
- Monoisotopic mass
- 535.10823184
Names & identifiers
- Preferred name
- Cyanidin 3-(3′′-malonylglucoside)
- IUPAC
- 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-1-benzopyran-1-ium-3-yl 3-O-(carboxyacetyl)-beta-D-glucopyranoside
Database identifiers
- CAS
171828-61-8- PubChem CID
- 102445481
- DTXSID
DTXSID301299162- Nikkaji
- J791.112B
Related reactions
0 records
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Compound notes
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