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Concept information

Preferred term

5-[(2r,3s,4r,5r,6s)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-8-hydroxy-6-methoxy-3-methylisochromen-1-one  

Type

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

Broader concept

charge

  • 0

formula

  • C18H22O10

inchi

  • InChI=1S/C18H22O10/c1-7-4-8-12(17(23)26-7)9(20)5-10(24-2)15(8)28-18-14(22)13(21)16(25-3)11(6-19)27-18/h4-5,11,13-14,16,18-22H,6H2,1-3H3/t11-,13+,14-,16-,18+/m0/s1

inchikey

  • BYAMZRXKQNNLSE-FVPJMTCRSA-N

mass

  • 398.364

monoisotopicmass

  • 398.12130

smiles

  • O=C1OC(=CC=2C1=C(O)C=C(OC)C2O[C@H]3O[C@H]([C@H](OC)[C@@H]([C@@H]3O)O)CO)C

subset

  • 2_STAR

synonym EXACT

  • 5-[(2R,3S,4R,5R,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-8-hydroxy-6-methoxy-3-methylisochromen-1-one

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:211751

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