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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 > 11-deoxydaunorubicin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > polyketide > anthracycline > 11-deoxydaunorubicin
... > 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 > 11-deoxydaunorubicin

Preferred term

11-deoxydaunorubicin  

Type

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

Broader concept

charge

  • 0

formula

  • C27H29NO9

inchi

  • InChI=1S/C27H29NO9/c1-11-23(30)16(28)8-19(36-11)37-18-10-27(34,12(2)29)9-13-7-15-22(25(32)20(13)18)26(33)21-14(24(15)31)5-4-6-17(21)35-3/h4-7,11,16,18-19,23,30,32,34H,8-10,28H2,1-3H3/t11-,16-,18-,19-,23+,27-/m0/s1

inchikey

  • ZCLQMQOBRBUQOR-GRRPPOEGSA-N

mass

  • 511.527

monoisotopicmass

  • 511.18423

smiles

  • O=C1C2=C(O)C3=C(C[C@@](O)(C(=O)C)C[C@@H]3O[C@@H]4O[C@H]([C@@H](O)[C@H](C4)N)C)C=C2C(=O)C=5C1=C(OC)C=CC5

subset

  • 2_STAR

synonym EXACT

  • (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9-dihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:201372

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