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Concept information

Preferred term

2-(hydroxymethyl)-6-[(e)-4-(1,2,4-trihydroxy-2,6,6-trimethylcyclohexyl)but-3-en-2-yl]oxyoxane-3,4,5-triol  

Type

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

Broader concept

charge

  • 0

formula

  • C19H34O9

inchi

  • InChI=1S/C19H34O9/c1-10(27-16-15(24)14(23)13(22)12(9-20)28-16)5-6-19(26)17(2,3)7-11(21)8-18(19,4)25/h5-6,10-16,20-26H,7-9H2,1-4H3/b6-5+

inchikey

  • XZRJEYQBLXDNNU-AATRIKPKSA-N

mass

  • 406.472

monoisotopicmass

  • 406.22028

smiles

  • OC1(C(CC(O)CC1(O)C)(C)C)/C=C/C(OC2OC(C(O)C(O)C2O)CO)C

subset

  • 2_STAR

synonym EXACT

  • 2-(hydroxymethyl)-6-[(E)-4-(1,2,4-trihydroxy-2,6,6-trimethylcyclohexyl)but-3-en-2-yl]oxyoxane-3,4,5-triol

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:189463

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