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Concept information

ترکیب اکسیژن ارگانیک > oxacycle > بنزوپیران > (3S,4aR,7S) 7,8 دی هیدروکسی 3 متیل 3,4,4a,5,6,7 hexahydroisochromen 1 one

Preferred term

(3S,4aR,7S) 7,8 دی هیدروکسی 3 متیل 3,4,4a,5,6,7 hexahydroisochromen 1 one  

Type

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

Broader concept

charge

  • 0

formula

  • C10H14O4

inchi

  • InChI=1S/C10H14O4/c1-5-4-6-2-3-7(11)9(12)8(6)10(13)14-5/h5-7,11-12H,2-4H2,1H3/t5-,6+,7-/m0/s1

inchikey

  • CYXDVBHWKYFDMV-XVMARJQXSA-N

mass

  • 198.218

monoisotopicmass

  • 198.08921

smiles

  • O=C1O[C@H](C[C@@H]2C1=C(O)[C@@H](O)CC2)C

subset

  • 2_STAR

synonym EXACT

  • (3S,4aR,7S)-7,8-dihydroxy-3-methyl-3,4,4a,5,6,7-hexahydroisochromen-1-one

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:200999

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