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

Preferred term

doxorubicinol hydrochloride  

Type

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

Broader concept

charge

  • 0

formula

  • C27H31NO11.ClH

inchi

  • InChI=1S/C27H31NO11.ClH/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;/h3-5,10,13,15-17,22,29-31,33,35-36H,6-9,28H2,1-2H3;1H

inchikey

  • ORLHIGGRLIJIIM-UHFFFAOYSA-N

mass

  • 582.000

monoisotopicmass

  • 581.16639

smiles

  • Cl.O=C1C2=C(O)C3=C(CC(O)(C(O)CO)CC3OC4OC(C(O)C(C4)N)C)C(=C2C(=O)C=5C1=C(OC)C=CC5)O

subset

  • 2_STAR

synonym EXACT

  • (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-9-(1,2-dihydroxyethyl)-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione.hydrochloride

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:201460

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