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Concept information

ترکیب اکسیژن ارگانیک > ایزوکلومبین

Preferred term

ایزوکلومبین  

Type

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

charge

  • 0

formula

  • C20H22O6

inchi

  • InChI=1S/C20H22O6/c1-18-9-14(11-5-8-24-10-11)25-16(21)12(18)3-6-19(2)15(18)13-4-7-20(19,23)17(22)26-13/h4-5,7-8,10,12-15,23H,3,6,9H2,1-2H3/t12-,13-,14+,15+,18-,19-,20+/m0/s1

inchikey

  • AALLCALQGXXWNA-VBFYFJBNSA-N

mass

  • 358.38510

monoisotopicmass

  • 358.14164

smiles

  • C[C@]12C[C@@H](OC(=O)[C@@H]1CC[C@@]1(C)[C@@H]2[C@H]2OC(=O)[C@]1(O)C=C2)c1ccoc1

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:81144

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