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Hydroxyrubicin

HCID 454841
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Basic information

CAS
73113-90-3
Standard SMILES
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](O)[C@H](O)[C@H](C)O1
InChIKey
HEQRYQONNHFDHG-TZSSRYMLSA-N
Molecular formula
C27H28O12
Average molar mass
544.509 g/mol
Monoisotopic mass
544.15807634

Names & identifiers

Preferred name
Hydroxyrubicin
IUPAC
(1S,3S)-3,5,12-Trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,6-dideoxy-alpha-L-lyxo-hexopyranoside

Database identifiers

CAS
73113-90-3
PubChem CID
454841
DTXSID
DTXSID00873756
ChEMBL
CHEMBL2074806
UNII
M61CNW3494
Nikkaji
J546.936H

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