7-Hydroxycoumarin glucuronide

CAS Registry Number®

66695-14-5
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CAS Name

7-Hydroxycoumarin glucuronide

Molecular Formula

C15H14O9

Molecular Mass

338.27

Cite this Page

7-Hydroxycoumarin glucuronide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=66695-14-5 (retrieved 2024-05-17) (CAS RN: 66695-14-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C15H14O9/c16-9-4-2-6-1-3-7(5-8(6)23-9)22-15-12(19)10(17)11(18)13(24-15)14(20)21/h1-5,10-13,15,17-19H,(H,20,21)/t10-,11-,12+,13-,15+/m0/s1

InChIKey

InChIKey=PRYLPCLGPXGILY-DKBOKBLXSA-N

SMILES

O(C=1C=C2C(=CC1)C=CC(=O)O2)[C@@H]3O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]3O

Canonical SMILES

O=C(O)C1OC(OC=2C=CC=3C=CC(=O)OC3C2)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, 2-oxo-2H-1-benzopyran-7-yl
  • β-D-Glucosiduronic acid, 2-oxo-2H-1-benzopyran-7-yl
  • 2-Oxo-2H-1-benzopyran-7-yl β-D-glucopyranosiduronic acid
  • 7-Hydroxycoumarin glucuronide

Deleted or Replaced CAS Registry Numbers

97980-92-2, 90735-60-7, 197895-51-5

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