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Concept information

organooxygen compound > ether > aromatic ether > acrovestone > irisolidone 7-o-glucuronide
... > organooxygen compound > oxacycle > benzopyran > 1-benzopyran > isoflavonoid > irisolidone 7-o-glucuronide

Preferred term

irisolidone 7-o-glucuronide  

Type

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

Broader concept

charge

  • 0

formula

  • C23H22O12

inchi

  • InChI=1S/C23H22O12/c1-31-10-5-3-9(4-6-10)11-8-33-12-7-13(20(32-2)16(25)14(12)15(11)24)34-23-19(28)17(26)18(27)21(35-23)22(29)30/h3-8,17-19,21,23,25-28H,1-2H3,(H,29,30)/t17-,18-,19+,21-,23+/m0/s1

inchikey

  • IOKMQETVPIUDOP-VLXBDIDVSA-N

mass

  • 490.417

monoisotopicmass

  • 490.11113

smiles

  • O1[C@@H](OC2=C(OC)C(O)=C3C(OC=C(C3=O)C4=CC=C(OC)C=C4)=C2)[C@H](O)[C@@H](O)[C@H](O)[C@H]1C(O)=O

subset

  • 2_STAR

synonym EXACT

  • (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-6-methoxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:191760

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