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Concept information

Preferred term

اسکوالستاتین H7  

Type

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

charge

  • 0

formula

  • C23H28O12

inchi

  • InChI=1S/C23H28O12/c1-12(9-14(11-24)10-13-5-3-2-4-6-13)7-8-21-15(25)16(26)23(35-21,20(31)32)22(33,19(29)30)17(34-21)18(27)28/h2-6,9,14-17,24-26,33H,7-8,10-11H2,1H3,(H,27,28)(H,29,30)(H,31,32)/b12-9+/t14?,15-,16-,17-,21+,22-,23+/m1/s1

inchikey

  • WGWJVSIFWNJGMK-DQNFXVFVSA-N

mass

  • 496.465

monoisotopicmass

  • 496.15808

smiles

  • O=C(O)[C@@]1(O)[C@@]2(O[C@](CC/C(=C/C(CO)CC3=CC=CC=C3)/C)(O[C@@H]1C(=O)O)[C@@H]([C@H]2O)O)C(=O)O

subset

  • 2_STAR

synonym EXACT

  • (1S,3S,4S,5R,6R,7R)-1-[(E)-5-benzyl-6-hydroxy-3-methylhex-3-enyl]-4,6,7-trihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:198707

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