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N-Trifluoroacetyladriamycin

PropertiesImageOccurences in reactions
MNX_IDMNXM1102068Image of MNXM1102068
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC29H28F3NO12
charge0
mass639.15636
referencehmdb:HMDB0061164
InChIKeyRQIOYWADAKTIJC-XUKKXQNXSA-N
InChIInChI=1S/C29H28F3NO12/c1-10-22(36)13(33-27(41)29(30,31)32)6-17(44-10)45-15-8-28(42,16(35)9-34)7-12-19(15)26(40)21-20(24(12)38)23(37)11-4-3-5-14(43-2)18(11)25(21)39/h3-5,10,13,15,17,22,34,36,38,40,42H,6-9H2,1-2H3,(H,33,41)/t10-,13-,15-,17-,22+,28-/m0/s1
SMILESCOc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NC(=O)C(F)(F)F)[C@H](O)[C@H](C)O1
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Similar chemical compounds in external resources
IdentifierDescription
hmdb:HMDB0061164 N-Trifluoroacetyladriamycin
2,2,2-trifluoro-N-[(2S,3S,4S,6R)-3-hydroxy-2-methyl-6-{[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl]oxy}oxan-4-yl]acetamide
2,2,2-trifluoro-N-[(2S,3S,4S,6R)-3-hydroxy-2-methyl-6-{[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy}oxan-4-yl]acetamide
AD 41
hmdb:HMDB0143196 2,2,2-trifluoro-N-(3-hydroxy-2-methyl-6-{[(3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl]oxy}oxan-4-yl)ethanimidic acid
2,2,2-Trifluoro-N-(3-hydroxy-2-methyl-6-{[(3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl]oxy}oxan-4-yl)ethanimidate
2,2,2-trifluoro-N-(3-hydroxy-2-methyl-6-{[(3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy}oxan-4-yl)ethanimidic acid
hmdb:HMDB61164 secondary/obsolete/fantasy identifier