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

Details

Stereochemistry ABSOLUTE
Molecular Formula C25H24O13
Molecular Weight 532.4503
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MALONYLGLYCITIN

SMILES

COC1=C(O[C@@H]2O[C@H](COC(=O)CC(O)=O)[C@@H](O)[C@H](O)[C@H]2O)C=C3OC=C(C(=O)C3=C1)C4=CC=C(O)C=C4

InChI

InChIKey=OWMHCYFEIJPHFB-GOZZSVHWSA-N
InChI=1S/C25H24O13/c1-34-16-6-13-15(35-9-14(21(13)30)11-2-4-12(26)5-3-11)7-17(16)37-25-24(33)23(32)22(31)18(38-25)10-36-20(29)8-19(27)28/h2-7,9,18,22-26,31-33H,8,10H2,1H3,(H,27,28)/t18-,22-,23+,24-,25-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
MALONYLGLYCITIN
Common Name English
MALONYL GLYCITIN (CONSTITUENT OF SOY ISOFLAVONES) [DSC]
Common Name English
3-(4-HYDROXYPHENYL)-6-METHOXY-4-OXO-4H-CHROMEN-8-YL 6-O-(CARBOXYACETYL)-.BETA.-D-GLUCOPYRANOSIDE
Systematic Name English
4H-1-BENZOPYRAN-4-ONE, 7-((6-O-(2-CARBOXYACETYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-3-(4-HYDROXYPHENYL)-6-METHOXY-
Systematic Name English
GLYCITEIN 6''-O-MALONYLGLUCOSIDE
Common Name English
6''-O-MALONYLGLYCITIN
Common Name English
GLYCITIN 6''-O-MALONATE
Common Name English
Code System Code Type Description
PUBCHEM
23724657
Created by admin on Sat Dec 16 11:09:53 GMT 2023 , Edited by admin on Sat Dec 16 11:09:53 GMT 2023
PRIMARY
EPA CompTox
DTXSID701314722
Created by admin on Sat Dec 16 11:09:53 GMT 2023 , Edited by admin on Sat Dec 16 11:09:53 GMT 2023
PRIMARY
CHEBI
80374
Created by admin on Sat Dec 16 11:09:53 GMT 2023 , Edited by admin on Sat Dec 16 11:09:53 GMT 2023
PRIMARY
CAS
137705-39-6
Created by admin on Sat Dec 16 11:09:53 GMT 2023 , Edited by admin on Sat Dec 16 11:09:53 GMT 2023
PRIMARY
FDA UNII
7625LXB9M8
Created by admin on Sat Dec 16 11:09:53 GMT 2023 , Edited by admin on Sat Dec 16 11:09:53 GMT 2023
PRIMARY