skip to main content

Chemistry, part 2

Content language

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

Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > pyrenes > 1-hydroxypyrene glucuronide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic polycyclic compound > pyrenes > 1-hydroxypyrene glucuronide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > pyrenes > 1-hydroxypyrene glucuronide
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > pyrenes > 1-hydroxypyrene glucuronide

Preferred term

1-hydroxypyrene glucuronide  

Type

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

Broader concept

charge

  • 0

formula

  • C22H18O7

inchi

  • InChI=1S/C22H18O7/c23-17-18(24)20(21(26)27)29-22(19(17)25)28-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9,17-20,22-25H,(H,26,27)/t17-,18-,19+,20-,22+/m0/s1

inchikey

  • BUCREAQPYGLZLI-SXFAUFNYSA-N

mass

  • 394.379

monoisotopicmass

  • 394.10525

smiles

  • O1[C@@H](OC2=C3C=4C=5C(C=C3)=CC=CC5C=CC4C=C2)[C@H](O)[C@@H](O)[C@H](O)[C@H]1C(O)=O

subset

  • 2_STAR

synonym EXACT

  • (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-pyren-1-yloxyoxane-2-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:169739

Download this concept:

RDF/XML TURTLE JSON-LD