QUERCIMERITRIN TRIHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H20O12.3H2O
Molecular Weight	518.4221
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.O.O.OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O)=C(OC3=C2)C4=CC=C(O)C(O)=C4)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChIKey=VRAAWZWCNJZTAL-FOVQSCRCSA-N

InChI=1S/C21H20O12.3H2O/c22-6-13-15(26)17(28)19(30)21(33-13)31-8-4-11(25)14-12(5-8)32-20(18(29)16(14)27)7-1-2-9(23)10(24)3-7;;;/h1-5,13,15,17,19,21-26,28-30H,6H2;3*1H2/t13-,15-,17+,19-,21-;;;/m1.../s1

HIDE SMILES / InChI

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C21H20O12
Molecular Weight	464.3763
Charge	0
Count

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

Approval Year

PubMed

Title	Date	PubMed
[Chemical constituents from leaves of Morus multicaulis].	2007 Apr	17608222
[Flavones from flowers of Paulownia fortunei].	2008 Nov	19216158
Antioxidant activities of new flavonoids from Cudrania tricuspidata root bark.	2009 Feb	19280148

Substance Class	Chemical Created by `admin` on `Sat Dec 16 07:56:05 UTC 2023` Edited by `admin` on `Sat Dec 16 07:56:05 UTC 2023`
Record UNII	1MG401K5XU
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

QUERCIMERITRIN TRIHYDRATE

Common Name

English

2-(3,4-DIHYDROXYPHENYL)-7-(.BETA.-D-GLUCOPYRANOSYLOXY)-3,5-DIHYDROXY-4H-1-BENZOPYRAN-4-ONE TRIHYDRATE

Systematic Name

English

QUERCIMERITRIN TRIHYDRATE [MI]

Common Name

English

Code System Code Type Description

PUBCHEM

90479695

Created by admin on Sat Dec 16 07:56:05 UTC 2023 , Edited by admin on Sat Dec 16 07:56:05 UTC 2023

PRIMARY

FDA UNII

1MG401K5XU

Created by admin on Sat Dec 16 07:56:05 UTC 2023 , Edited by admin on Sat Dec 16 07:56:05 UTC 2023

PRIMARY

MERCK INDEX

m9421

Created by admin on Sat Dec 16 07:56:05 UTC 2023 , Edited by admin on Sat Dec 16 07:56:05 UTC 2023

PRIMARY

Merck Index

CAS

14402-68-7

Created by admin on Sat Dec 16 07:56:05 UTC 2023 , Edited by admin on Sat Dec 16 07:56:05 UTC 2023

PRIMARY

Related Record Type Details


					177033M1DL

QUERCIMERITRIN

ANHYDROUS->SOLVATE


					177033M1DL

QUERCIMERITRIN

PARENT -> SALT/SOLVATE