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Concept information

Preferred term

doxorubicin-semiquinone  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • -2

formula

  • C27H31NO11

inchi

  • InChI=1S/C27H31NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22-23,25,29,31,33,35-36H,6-9,28H2,1-2H3/q-2

inchikey

  • IYWNYPIEHPQZQA-UHFFFAOYSA-N

mass

  • 545.542

monoisotopicmass

  • 545.19081

smiles

  • O(C1CC(O)(CC2=C1C(O)=C3C(=C2O)C([O-])C4=C(C3[O-])C(OC)=CC=C4)C(=O)CO)C5OC(C(O)C(N)C5)C

subset

  • 2_STAR

synonym EXACT

  • 7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-7,8,10,12-tetrahydro-5H-tetracene-5,12-diolate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:169429

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