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Concept information

Preferred term

withanolide a  

Type

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

Broader concept

charge

  • 0

formula

  • C28H38O6

inchi

  • InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1

inchikey

  • DXWHOKCXBGLTMQ-SFQAJKIESA-N

mass

  • 470.606

monoisotopicmass

  • 470.26684

smiles

  • O1[C@H]2[C@]3([C@]4([C@@]([C@](CC4)([C@@](O)([C@@]5(OC(=O)C(=C(C5)C)C)[H])C)[H])(CC[C@@]3([C@@]6([C@@](O)([C@@H]12)CC=CC6=O)C)[H])C)[H])[H]

subset

  • 2_STAR

synonym EXACT

  • (1S,2S,4S,5R,10R,11S,14S,15S,18S)-15-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-5-hydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-9-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:175683

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