skip to main content

Content language

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

Concept information

ترکیب اکسیژن ارگانیک > oxacycle > بنزوپیران > (3R,4aS,8S,8aR) 8 هیدروکسی 3 rnethyl 3,4,4a,5,6,7,8,8a octahydro 1H 2 benzopyran 1 one

Preferred term

(3R,4aS,8S,8aR) 8 هیدروکسی 3 rnethyl 3,4,4a,5,6,7,8,8a octahydro 1H 2 benzopyran 1 one  

Type

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

Broader concept

charge

  • 0

formula

  • C10H16O3

inchi

  • InChI=1S/C10H16O3/c1-6-5-7-3-2-4-8(11)9(7)10(12)13-6/h6-9,11H,2-5H2,1H3/t6-,7+,8+,9-/m1/s1

inchikey

  • MXMDZXIALPKANE-RYPBNFRJSA-N

mass

  • 184.235

monoisotopicmass

  • 184.10994

smiles

  • O=C1O[C@@H](C[C@H]2[C@@H]1[C@@H](O)CCC2)C

subset

  • 2_STAR

synonym EXACT

  • (3R,4aS,8S,8aR)-8-hydroxy-3-methyl-3,4,4a,5,6,7,8,8a-octahydroisochromen-1-one

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:216504

Download this concept: