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Concept information

... > organooxygen compound > ester > carboxylic ester > lactone > gamma-lactone > thunberginol f 7-o-beta-d-glucopyranoside
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > gamma-lactone > thunberginol f 7-o-beta-d-glucopyranoside
organooxygen compound > ester > lactone > gamma-lactone > thunberginol f 7-o-beta-d-glucopyranoside
organooxygen compound > oxacycle > lactone > gamma-lactone > thunberginol f 7-o-beta-d-glucopyranoside
... > organooxygen compound > oxacycle > benzofurans > 2-benzofurans > isobenzofuranone > thunberginol f 7-o-beta-d-glucopyranoside

Preferred term

thunberginol f 7-o-beta-d-glucopyranoside  

Type

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

charge

  • 0

formula

  • C21H20O10

has_functional_parent

inchi

  • InChI=1S/C21H20O10/c22-8-15-17(25)18(26)19(27)21(31-15)30-13-3-1-2-10-14(29-20(28)16(10)13)7-9-4-5-11(23)12(24)6-9/h1-7,15,17-19,21-27H,8H2/b14-7-/t15-,17-,18+,19-,21-/m1/s1

inchikey

  • QJVBIFNWYBLVDD-APMKNHDFSA-N

mass

  • 432.37750

monoisotopicmass

  • 432.10565

smiles

  • OC[C@H]1O[C@@H](Oc2cccc3/C(OC(=O)c23)=C/c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O

subset

  • 3_STAR

synonym EXACT

  • (1Z)-1-(3,4-dihydroxybenzylidene)-3-oxo-1,3-dihydro-2-benzofuran-4-yl beta-D-glucopyranoside

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:68125

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