MALONYLGLYCITIN

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 Search

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

Molecular Formula	C25H24O13
Molecular Weight	532.4503
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:09:53 GMT 2023` Edited by `admin` on `Sat Dec 16 11:09:53 GMT 2023`
Record UNII	7625LXB9M8
Record Status	`Validated (UNII)`
Record Version

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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