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

Preferred term

pirarubicin  

Type

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

Broader concept

charge

  • 0

formula

  • C32H37NO12

inchi

  • InChI=1S/C32H37NO12/c1-14-31(45-21-8-3-4-9-42-21)17(33)10-22(43-14)44-19-12-32(40,20(35)13-34)11-16-24(19)30(39)26-25(28(16)37)27(36)15-6-5-7-18(41-2)23(15)29(26)38/h5-7,14,17,19,21-22,31,34,37,39-40H,3-4,8-13,33H2,1-2H3/t14-,17-,19-,21-,22-,31+,32-/m0/s1

inchikey

  • KMSKQZKKOZQFFG-HSUXVGOQSA-N

mass

  • 627.637

monoisotopicmass

  • 627.23158

smiles

  • [C@H]1(OCCCC1)O[C@H]2[C@H](C[C@H](O[C@@H]3C=4C(=C5C(C6=C(C=CC=C6C(C5=C(C4C[C@](C3)(C(CO)=O)O)O)=O)OC)=O)O)O[C@H]2C)N

subset

  • 2_STAR

synonym EXACT

  • Pirarubicin

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:32011

Download this concept:

RDF/XML TURTLE JSON-LD