NEOISOLIQUIRITINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H22O9
Molecular Weight	418.394
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC[C@H]1O[C@@H](OC2=CC=C(C(=O)\C=C\C3=CC=C(O)C=C3)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChIKey=XQWFHGOIUZFQPJ-LXGDFETPSA-N

InChI=1S/C21H22O9/c22-10-17-18(26)19(27)20(28)21(30-17)29-13-6-7-14(16(25)9-13)15(24)8-3-11-1-4-12(23)5-2-11/h1-9,17-23,25-28H,10H2/b8-3+/t17-,18-,19+,20-,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H22O9
Molecular Weight	418.394
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:41:07 GMT 2025` Edited by `admin` on `Mon Mar 31 22:41:07 GMT 2025`
Record UNII	3TQG647UAN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NEOISOLIQUIRITINE

Common Name

English

ISONEOLIQUIRITIN

Preferred Name

English

NEOISOLIQUIRITIGENIN

Common Name

English

2-PROPEN-1-ONE, 1-(4-(.BETA.-D-GLUCOPYRANOSYLOXY)-2-HYDROXYPHENYL)-3-(4-HYDROXYPHENYL)-, (2E)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

5320092