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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-deoxydoxorubicin
... > 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-deoxydoxorubicin
... > 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-deoxydoxorubicin

Preferred term

4-o-demethyl-11-deoxydoxorubicin  

Type

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

Broader concept

charge

  • 0

formula

  • C26H27NO10

inchi

  • InChI=1S/C26H27NO10/c1-10-22(31)14(27)6-18(36-10)37-16-8-26(35,17(30)9-28)7-11-5-13-21(24(33)19(11)16)25(34)20-12(23(13)32)3-2-4-15(20)29/h2-5,10,14,16,18,22,28-29,31,33,35H,6-9,27H2,1H3/t10-,14-,16-,18+,22+,26+/m1/s1

inchikey

  • ROILTUODAPUWLG-KAKOBGMRSA-N

mass

  • 513.499

monoisotopicmass

  • 513.16350

smiles

  • O=C1C2=C(O)C3=C(C[C@@](O)(C(=O)CO)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)-7-[(2R,4R,5R,6R)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-4,6,9-trihydroxy-9-(2-hydroxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:225086

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