U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H16O7
Molecular Weight 308.2833
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-METHYLUMBELLIFERYL .BETA.-D-XYLOPYRANOSIDE

SMILES

CC1=CC(=O)OC2=CC(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)=CC=C12

InChI

InChIKey=JWIYLOHVJDJZOQ-KAOXEZKKSA-N
InChI=1S/C15H16O7/c1-7-4-12(17)22-11-5-8(2-3-9(7)11)21-15-14(19)13(18)10(16)6-20-15/h2-5,10,13-16,18-19H,6H2,1H3/t10-,13+,14-,15+/m1/s1

HIDE SMILES / InChI

Molecular Formula C15H16O7
Molecular Weight 308.2833
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:51:01 GMT 2025
Edited
by admin
on Tue Apr 01 19:51:01 GMT 2025
Record UNII
766N8850JA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-METHYL-7-(BETA-D-XYLOPYRANOSYLOXY)-2H-1-BENZOPYRAN-2-ONE
Preferred Name English
4-METHYLUMBELLIFERYL .BETA.-D-XYLOPYRANOSIDE
Common Name English
COUMARIN, 4-METHYL-7-(.BETA.-D-XYLOPYRANOSYLOXY)-
Systematic Name English
4-METHYLUMBELLIFERONE-.BETA.-D-XYLOSIDE
Systematic Name English
2H-1-BENZOPYRAN-2-ONE, 4-METHYL-7-(.BETA.-D-XYLOPYRANOSYLOXY)-
Systematic Name English
4-METHYL-7-(.BETA.-D-XYLOPYRANOSYLOXY)-2H-1-BENZOPYRAN-2-ONE
Systematic Name English
4-METHYLUMBELLIFERYL .BETA.-D-XYLOPYRANOSIDE, (-)-
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
229-784-4
Created by admin on Tue Apr 01 19:51:01 GMT 2025 , Edited by admin on Tue Apr 01 19:51:01 GMT 2025
PRIMARY
PUBCHEM
92229
Created by admin on Tue Apr 01 19:51:01 GMT 2025 , Edited by admin on Tue Apr 01 19:51:01 GMT 2025
PRIMARY
CAS
6734-33-4
Created by admin on Tue Apr 01 19:51:01 GMT 2025 , Edited by admin on Tue Apr 01 19:51:01 GMT 2025
PRIMARY
EPA CompTox
DTXSID10217687
Created by admin on Tue Apr 01 19:51:01 GMT 2025 , Edited by admin on Tue Apr 01 19:51:01 GMT 2025
PRIMARY
FDA UNII
766N8850JA
Created by admin on Tue Apr 01 19:51:01 GMT 2025 , Edited by admin on Tue Apr 01 19:51:01 GMT 2025
PRIMARY