skip to main content

Chemistry, part 2

Content language

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

Concept information

organooxygen compound > oxacycle > benzopyran > pestalochromone b
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > benzopyran > pestalochromone b
... > 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 heterocyclic compound > oxacycle > benzopyran > pestalochromone b
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > benzopyran > pestalochromone b
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > benzopyran > pestalochromone b
... > 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 heterocyclic compound > organic heteropolycyclic compound > benzopyran > pestalochromone b
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > benzopyran > pestalochromone b

Preferred term

pestalochromone b  

Type

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

Broader concept

charge

  • 0

formula

  • C12H17ClO5

inchi

  • InChI=1S/C12H17ClO5/c1-12(2)4-5(14)6-10(18-12)7(13)8(15)9(16)11(6)17-3/h7-9,11,15-16H,4H2,1-3H3/t7-,8+,9-,11+/m1/s1

inchikey

  • DEZSZDHQEFMIGP-LOKLDPHHSA-N

mass

  • 276.710

monoisotopicmass

  • 276.07645

smiles

  • Cl[C@H]1C=2OC(CC(C2[C@H](OC)[C@@H]([C@H]1O)O)=O)(C)C

subset

  • 2_STAR

synonym EXACT

  • (5S,6R,7R,8R)-8-chloro-6,7-dihydroxy-5-methoxy-2,2-dimethyl-5,6,7,8-tetrahydro-3H-chromen-4-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:200053

Download this concept:

RDF/XML TURTLE JSON-LD