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Concept information

... > organooxygen compound > carbonyl compound > ketone > cyclic ketone > isoflavones > 5-(3',4',5'-trihydroxyphenyl)-gamma-valerolactone-3'-o-glucuronide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > isoflavones > 5-(3',4',5'-trihydroxyphenyl)-gamma-valerolactone-3'-o-glucuronide
... > organooxygen compound > oxacycle > benzopyran > 1-benzopyran > isoflavonoid > isoflavones > 5-(3',4',5'-trihydroxyphenyl)-gamma-valerolactone-3'-o-glucuronide

Preferred term

5-(3',4',5'-trihydroxyphenyl)-gamma-valerolactone-3'-o-glucuronide  

Type

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

Broader concept

charge

  • 0

formula

  • C17H20O11

inchi

  • InChI=1S/C17H20O11/c18-8-4-6(3-7-1-2-10(19)26-7)5-9(11(8)20)27-17-14(23)12(21)13(22)15(28-17)16(24)25/h4-5,7,12-15,17-18,20-23H,1-3H2,(H,24,25)/t7?,12-,13-,14+,15-,17?/m0/s1

inchikey

  • VQHXMQYHVVQQFP-CXWHQSFFSA-N

mass

  • 400.335

monoisotopicmass

  • 400.10056

smiles

  • C=1(C=C(C=C(C1O)O)CC2OC(CC2)=O)OC3[C@@H]([C@H]([C@@H]([C@H](O3)C(O)=O)O)O)O

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:88702

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