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Chemistry, part 3

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > oxygen molecular entity > organooxygen compound > polyketide > anthracycline > aclarubicin hydrochloride
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > polyketide > anthracycline > aclarubicin hydrochloride
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organochalcogen compound > organooxygen compound > polyketide > anthracycline > aclarubicin hydrochloride

Preferred term

aclarubicin hydrochloride  

Type

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

Broader concept

charge

  • 0

formula

  • C42H53NO15.HCl
  • C42H54ClNO15

inchi

  • InChI=1S/C42H53NO15.ClH/c1-8-42(51)17-28(33-22(35(42)41(50)52-7)14-23-34(38(33)49)37(48)32-21(36(23)47)10-9-11-26(32)45)56-30-15-24(43(5)6)39(19(3)54-30)58-31-16-27(46)40(20(4)55-31)57-29-13-12-25(44)18(2)53-29;/h9-11,14,18-20,24,27-31,35,39-40,45-46,49,51H,8,12-13,15-17H2,1-7H3;1H/t18-,19-,20-,24-,27-,28-,29-,30-,31-,35-,39+,40+,42+;/m0./s1

inchikey

  • KUSMIBXCRZTVML-PCCPLWKKSA-N

mass

  • 848.330

monoisotopicmass

  • 847.31820

smiles

  • [C@H]1(O[C@@H]2[C@H](C)O[C@@H](O[C@H]3[C@H](C[C@@H](O[C@H]3C)O[C@@H]4C5=C(C=6C(C=7C(=CC=CC7C(=O)C6C=C5[C@H]([C@@](O)(CC)C4)C(=O)OC)O)=O)O)N(C)C)C[C@@H]2O)CCC([C@H](C)O1)=O.Cl

subset

  • 2_STAR

synonym EXACT

  • Aclarubicin hydrochloride

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:31171

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