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

Details

Stereochemistry ABSOLUTE
Molecular Formula C27H30O14
Molecular Weight 578.5187
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-((6-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.ALPHA.-D-GLUCOPYRANOSYL)OXY)-5-HYDROXY-2-(4-HYDROXYPHENYL)-4H-1-BENZOPYRAN-4-ONE

SMILES

C[C@@H]1O[C@@H](OC[C@H]2O[C@H](OC3=CC4=C(C(=O)C=C(O4)C5=CC=C(O)C=C5)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O

InChI

InChIKey=FKIYLTVJPDLUDL-NSWCACCBSA-N
InChI=1S/C27H30O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-8,10,18,20-29,31-36H,9H2,1H3/t10-,18+,20-,21+,22+,23-,24+,25+,26+,27-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
4H-1-BENZOPYRAN-4-ONE, 7-((6-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.ALPHA.-D-GLUCOPYRANOSYL)OXY)-5-HYDROXY-2-(4-HYDROXYPHENYL)-
Preferred Name English
7-((6-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.ALPHA.-D-GLUCOPYRANOSYL)OXY)-5-HYDROXY-2-(4-HYDROXYPHENYL)-4H-1-BENZOPYRAN-4-ONE
Common Name English
Code System Code Type Description
PUBCHEM
12304376
Created by admin on Mon Mar 31 23:31:32 GMT 2025 , Edited by admin on Mon Mar 31 23:31:32 GMT 2025
PRIMARY
CAS
52438-15-0
Created by admin on Mon Mar 31 23:31:32 GMT 2025 , Edited by admin on Mon Mar 31 23:31:32 GMT 2025
PRIMARY
FDA UNII
WR72Z4475F
Created by admin on Mon Mar 31 23:31:32 GMT 2025 , Edited by admin on Mon Mar 31 23:31:32 GMT 2025
PRIMARY