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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 > 4-o-demethyl-11-deoxydaunorubicin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > polyketide > anthracycline > 4-o-demethyl-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 > 4-o-demethyl-11-deoxydaunorubicin

Preferred term

4-o-demethyl-11-deoxydaunorubicin  

Type

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

Broader concept

charge

  • 0

formula

  • C26H27NO9

inchi

  • InChI=1S/C26H27NO9/c1-10-22(30)15(27)7-18(35-10)36-17-9-26(34,11(2)28)8-12-6-14-21(24(32)19(12)17)25(33)20-13(23(14)31)4-3-5-16(20)29/h3-6,10,15,17-18,22,29-30,32,34H,7-9,27H2,1-2H3/t10-,15-,17-,18+,22+,26+/m1/s1

inchikey

  • IVTIJSPMQMJSEQ-YZLIVNITSA-N

mass

  • 497.500

monoisotopicmass

  • 497.16858

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(O)C=CC5

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:225091

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