(2Z,4S,4aR,5S,5aS,6R,12aS)-2-(amino-hydroxy-methylidene)-4-dimethylamino-5,10,11,12a-tetrahydroxy-6-methyl-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione hydrate
Molecular Formula:
C22H26N2O9
InChI: InChI=1/C22H24N2O8.H2O/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;/h4-7,10,14-15,17,25-27,31-32H,23H2,1-3H3;1H2/b21-13-;/t7-,10+,14+,15-,17-,22-;/m0./s1
InChIKey: InChIKey=ADAURKPGCFUREH-UQVCFKGQBI
SMILES: CC1C2C(C3C(C(=O)C(=C(N)O)C(=O)C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O.O
Names:
(2Z,4S,4aR,5S,5aS,6R,12aS)-2-(amino-hydroxy-methylidene)-4-dimethylamino-5,10,11,12a-tetrahydroxy-6-methyl-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione hydrate
Registries:
PubChem CID 5282374
PubChem ID 14858219
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