SCOPARIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H22O11
Molecular Weight	462.4035
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC(=CC=C1O)C2=CC(=O)C3=C(O)C=C(O)C([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C3O2

InChI

InChIKey=YXHFXGHAELQJGK-PGPONNFDSA-N

InChI=1S/C22H22O11/c1-31-14-4-8(2-3-9(14)24)13-6-12(27)16-10(25)5-11(26)17(21(16)32-13)22-20(30)19(29)18(28)15(7-23)33-22/h2-6,15,18-20,22-26,28-30H,7H2,1H3/t15-,18-,19+,20-,22+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H22O11
Molecular Weight	462.4035
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 `Fri Dec 15 20:16:50 UTC 2023` Edited by `admin` on `Fri Dec 15 20:16:50 UTC 2023`
Record UNII	DR3Y9P779Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SCOPARIN

Common Name

English

4H-1-BENZOPYRAN-4-ONE, 8-.BETA.-D-GLUCOPYRANOSYL-5,7-DIHYDROXY-2-(4-HYDROXY-3-METHOXYPHENYL)-

Common Name

English

8-C-.BETA.-D-GLUCOPYRANOSYLCHRYSOERIOL

Common Name

English

CHRYSOERIOL 8-C-GLUCOSIDE

Common Name

English

NSC-167408

Code

English

SCOPAROSIDE

Common Name

English

SCOPARIN [MI]

Common Name

English

SCOPARINE

Common Name

English

Code System Code Type Description

PUBCHEM

20055255