ISOLIQUIRITIN

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

InChI

InChIKey=YNWXJFQOCHMPCK-LXGDFETPSA-N

InChI=1S/C21H22O9/c22-10-17-18(26)19(27)20(28)21(30-17)29-13-5-1-11(2-6-13)3-8-15(24)14-7-4-12(23)9-16(14)25/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 `Sat Dec 16 08:19:21 UTC 2023` Edited by `admin` on `Sat Dec 16 08:19:21 UTC 2023`
Record UNII	2Y348H1V4W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ISOLIQUIRITIN

Common Name

English

ISOLIQUIRITOSIDE

Common Name

English

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

5318591

Created by admin on Sat Dec 16 08:19:21 UTC 2023 , Edited by admin on Sat Dec 16 08:19:21 UTC 2023

PRIMARY

CAS

5041-81-6

Created by admin on Sat Dec 16 08:19:21 UTC 2023 , Edited by admin on Sat Dec 16 08:19:21 UTC 2023

PRIMARY

EPA CompTox

DTXSID901317746

Created by admin on Sat Dec 16 08:19:21 UTC 2023 , Edited by admin on Sat Dec 16 08:19:21 UTC 2023

PRIMARY

FDA UNII

2Y348H1V4W

Created by admin on Sat Dec 16 08:19:21 UTC 2023 , Edited by admin on Sat Dec 16 08:19:21 UTC 2023

PRIMARY

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