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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > addition compound > hydrate > esculin hydrate

Preferred term

esculin hydrate  

Type

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

Broader concept

charge

  • 0

formula

  • C15H18O10

has_part

has_role

inchi

  • InChI=1S/C15H16O9.H2O/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17;/h1-4,10,12-17,19-21H,5H2;1H2/t10-,12-,13+,14-,15-;/m1./s1

inchikey

  • CQYPGSKIFJFVDQ-QWFKVUSTSA-N

mass

  • 358.29740

monoisotopicmass

  • 358.09000

smiles

  • O.OC[C@H]1O[C@@H](Oc2cc3ccc(=O)oc3cc2O)[C@H](O)[C@@H](O)[C@@H]1O

subset

  • 3_STAR

synonym EXACT

  • 7-hydroxy-2-oxo-2H-chromen-6-yl beta-D-glucopyranoside--water (1/1)

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:73111

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