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Concept information

Preferred term

(3s,5r,6s,7e,9x)-7-megastigmene-3,6,9-triol 9-glucoside  

Type

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

Broader concept

charge

  • 0

formula

  • C19H34O8

inchi

  • InChI=1S/C19H34O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-17,20-25H,7-9H2,1-4H3/b6-5+

inchikey

  • MRPDHXXPDCVBPQ-AATRIKPKSA-N

mass

  • 390.473

monoisotopicmass

  • 390.22537

smiles

  • OC1(C(CC(O)CC1C)(C)C)/C=C/C(OC2OC(C(O)C(O)C2O)CO)C

subset

  • 2_STAR

synonym EXACT

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

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:172625

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