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

Details

Stereochemistry ABSOLUTE
Molecular Formula C27H30O16
Molecular Weight 610.5175
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RHODIONIDIN

SMILES

C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O)=C(OC3=C2O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C5=CC=C(O)C=C5)[C@H](O)[C@H](O)[C@H]1O

InChI

InChIKey=CQFZDNWCTZWQSH-UCPCOQSFSA-N
InChI=1S/C27H30O16/c1-8-15(31)18(34)21(37)26(39-8)40-12-6-11(30)14-17(33)20(36)23(9-2-4-10(29)5-3-9)42-25(14)24(12)43-27-22(38)19(35)16(32)13(7-28)41-27/h2-6,8,13,15-16,18-19,21-22,26-32,34-38H,7H2,1H3/t8-,13+,15-,16+,18+,19-,21+,22+,26-,27-/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H30O16
Molecular Weight 610.5175
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:51:47 GMT 2023
Edited
by admin
on Sat Dec 16 09:51:47 GMT 2023
Record UNII
6M033POR79
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RHODIONIDIN
Common Name English
4H-1-BENZOPYRAN-4-ONE, 7-((6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)OXY)-8-(.BETA.-D-GLUCOPYRANOSYLOXY)-3,5-DIHYDROXY-2-(4-HYDROXYPHENYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
91864469
Created by admin on Sat Dec 16 09:51:47 GMT 2023 , Edited by admin on Sat Dec 16 09:51:47 GMT 2023
PRIMARY
CAS
94696-40-9
Created by admin on Sat Dec 16 09:51:47 GMT 2023 , Edited by admin on Sat Dec 16 09:51:47 GMT 2023
PRIMARY
FDA UNII
6M033POR79
Created by admin on Sat Dec 16 09:51:47 GMT 2023 , Edited by admin on Sat Dec 16 09:51:47 GMT 2023
PRIMARY