HERBACIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H20O12
Molecular Weight	464.3763
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC[C@H]1O[C@@H](OC2=C3OC(=C(O)C(=O)C3=C(O)C=C2O)C4=CC=C(O)C=C4)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChIKey=WWEKCPWUOZWBRI-KKPQBLLMSA-N

InChI=1S/C21H20O12/c22-6-11-13(26)15(28)17(30)21(31-11)33-19-10(25)5-9(24)12-14(27)16(29)18(32-20(12)19)7-1-3-8(23)4-2-7/h1-5,11,13,15,17,21-26,28-30H,6H2/t11-,13-,15+,17-,21+/m1/s1

HIDE SMILES / InChI

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

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:54:44 GMT 2023` Edited by `admin` on `Sat Dec 16 18:54:44 GMT 2023`
Record UNII	C6WS9CNM55
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

HERBACIN

Common Name

English

4H-1-Benzopyran-4-one, 8-(β-D-glucopyranosyloxy)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-

Systematic Name

English

8-(β-D-Glucopyranosyloxy)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one

Systematic Name

English

Herbacetin 8-O-glucoside

Common Name

English

Herbacetin 8-O-β-D-glucopyranoside

Common Name

English

Herbacetin 8-glucoside

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID80911544

Created by admin on Sat Dec 16 18:54:44 GMT 2023 , Edited by admin on Sat Dec 16 18:54:44 GMT 2023

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CAS

11021-22-0

Created by admin on Sat Dec 16 18:54:44 GMT 2023 , Edited by admin on Sat Dec 16 18:54:44 GMT 2023

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FDA UNII

C6WS9CNM55

Created by admin on Sat Dec 16 18:54:44 GMT 2023 , Edited by admin on Sat Dec 16 18:54:44 GMT 2023

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PUBCHEM

5748571

Created by admin on Sat Dec 16 18:54:44 GMT 2023 , Edited by admin on Sat Dec 16 18:54:44 GMT 2023

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