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Concept information

Preferred term

(3S,5R,6R,7E) 3,5,6 Trihydroxy 7 megastigmen 9 one  

Type

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

Broader concept

charge

  • 0

formula

  • C13H22O4

inchi

  • InChI=1S/C13H22O4/c1-9(14)5-6-13(17)11(2,3)7-10(15)8-12(13,4)16/h5-6,10,15-17H,7-8H2,1-4H3/b6-5+

inchikey

  • QASOACWKTAXFSE-AATRIKPKSA-N

mass

  • 242.315

monoisotopicmass

  • 242.15181

smiles

  • OC1(C(CC(O)CC1(O)C)(C)C)/C=C/C(=O)C

subset

  • 2_STAR

synonym EXACT

  • (E)-4-(1,2,4-trihydroxy-2,6,6-trimethylcyclohexyl)but-3-en-2-one

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:168487

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