NEOLIQUIRITIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H22O9
Molecular Weight	418.394
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC[C@H]1O[C@@H](OC2=CC3=C(C=C2)C(=O)C[C@H](O3)C4=CC=C(O)C=C4)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChIKey=HJBUYKZTEBZNSH-ZRWXNEIDSA-N

InChI=1S/C21H22O9/c22-9-17-18(25)19(26)20(27)21(30-17)28-12-5-6-13-14(24)8-15(29-16(13)7-12)10-1-3-11(23)4-2-10/h1-7,15,17-23,25-27H,8-9H2/t15-,17+,18+,19-,20+,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H22O9
Molecular Weight	418.394
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:28:32 UTC 2023` Edited by `admin` on `Sat Dec 16 09:28:32 UTC 2023`
Record UNII	5X51Y867TK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NEOLIQUIRITIN

Common Name

English

LIQUIRITIGENIN 7-.BETA.-D-GLUCOPYRANOSIDE

Common Name

English

4H-1-BENZOPYRAN-4-ONE, 7-(.BETA.-D-GLUCOPYRANOSYLOXY)-2,3-DIHYDRO-2-(4-HYDROXYPHENYL)-, (2S)-

Systematic Name

English

Code System Code Type Description

FDA UNII

5X51Y867TK

Created by admin on Sat Dec 16 09:28:32 UTC 2023 , Edited by admin on Sat Dec 16 09:28:32 UTC 2023

PRIMARY

EPA CompTox

DTXSID501317518

Created by admin on Sat Dec 16 09:28:32 UTC 2023 , Edited by admin on Sat Dec 16 09:28:32 UTC 2023

PRIMARY

CAS

5088-75-5

Created by admin on Sat Dec 16 09:28:32 UTC 2023 , Edited by admin on Sat Dec 16 09:28:32 UTC 2023

PRIMARY

PUBCHEM

51666248

Created by admin on Sat Dec 16 09:28:32 UTC 2023 , Edited by admin on Sat Dec 16 09:28:32 UTC 2023

PRIMARY

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