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Concept information

Preferred term

Versisspiroketal A  

Type

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

charge

  • 0

formula

  • C17H18O6

inchi

  • InChI=1S/C17H18O6/c1-8-4-10(18)13-11(5-8)22-17(23-13)14-9(2)6-12(19)16(17,21)7-15(14,3)20/h4-6,14,18,20-21H,7H2,1-3H3/t14-,15-,16+,17+/m0/s1

inchikey

  • WCQUEOCSRZTIPC-MWDXBVQZSA-N

mass

  • 318.325

monoisotopicmass

  • 318.11034

smiles

  • O=C1C=C([C@@H]2[C@]3([C@@]1(O)C[C@@]2(O)C)OC=4C(O)=CC(=CC4O3)C)C

subset

  • 2_STAR

synonym EXACT

  • (1'R,2R,5'S,6'S)-1',4,6'-trihydroxy-4',6,6'-trimethylspiro[1,3-benzodioxole-2,8'-bicyclo[3.2.1]oct-3-ene]-2'-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:226914

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