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Concept information

Preferred term

methyldavallialactone  

Type

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

Broader concept

charge

  • 0

formula

  • C26H22O9

inchi

  • InChI=1S/C26H22O9/c1-13-9-20(30)23(25(34-13)15-5-8-17(27)19(29)11-15)24-21(31)12-16(35-26(24)32)6-3-14-4-7-18(28)22(10-14)33-2/h3-12,23,25,27-29,31H,1-2H3/b6-3+/t23-,25-/m1/s1

inchikey

  • LDTVSIZNVSZWDV-DSJLGJJVSA-N

mass

  • 478.453

monoisotopicmass

  • 478.12638

smiles

  • O=C1OC(=CC(=C1[C@H]2C(=O)C=C(C)O[C@@H]2C3=CC(O)=C(O)C=C3)O)/C=C/C4=CC(OC)=C(O)C=C4

subset

  • 2_STAR

synonym EXACT

  • 3-[(2S,3R)-2-(3,4-dihydroxyphenyl)-6-methyl-4-oxo-2,3-dihydropyran-3-yl]-4-hydroxy-6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyran-2-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:214095

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