skip to main content

Chemistry, part 3

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

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

Preferred term

epirubicin hydrochloride  

Type

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

Broader concept

charge

  • 0

formula

  • C27H29NO11.ClH

has_role

inchi

  • InChI=1S/C27H29NO11.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/t10-,13-,15-,17-,22-,27-;/m0./s1

inchikey

  • MWWSFMDVAYGXBV-FGBSZODSSA-N

mass

  • 579.980

monoisotopicmass

  • 579.15074

smiles

  • C[C@@]1([H])[C@]([C@@](C[C@@]([H])(O1)O[C@]2(C[C@@](CC=3C2=C(C4=C(C(C=5C=CC=C(C5C4=O)OC)=O)C3O)O)(C(CO)=O)O)[H])([H])N)([H])O.Cl

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:232543

Download this concept:

RDF/XML TURTLE JSON-LD