Thalassiolin A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H20O14S
Molecular Weight	528.44
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=CC(O)=C3C(=O)C=C(OC3=C2)C4=CC(O)=C(O)C=C4)[C@H](OS(O)(=O)=O)[C@@H](O)[C@@H]1O

InChI

InChIKey=RADMEXUHLCJBEW-QNDFHXLGSA-N

InChI=1S/C21H20O14S/c22-7-16-18(27)19(28)20(35-36(29,30)31)21(34-16)32-9-4-12(25)17-13(26)6-14(33-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-28H,7H2,(H,29,30,31)/t16-,18-,19+,20-,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H20O14S
Molecular Weight	528.44
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 19:18:18 UTC 2023` Edited by `admin` on `Sat Dec 16 19:18:18 UTC 2023`
Record UNII	M22A8A3SGT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Thalassiolin A

Common Name

English

2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-[(2-O-sulfo-β-D-glucopyranosyl)oxy]-4H-1-benzopyran-4-one

Systematic Name

English

4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2-O-sulfo-β-D-glucopyranosyl)oxy]-

Systematic Name

English

[(2S,3R,4S,5S,6R)-2-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxidanesulfonic acid

Systematic Name

English

Code System Code Type Description

CAS

207683-70-3

Created by admin on Sat Dec 16 19:18:18 UTC 2023 , Edited by admin on Sat Dec 16 19:18:18 UTC 2023

PRIMARY

FDA UNII

M22A8A3SGT

Created by admin on Sat Dec 16 19:18:18 UTC 2023 , Edited by admin on Sat Dec 16 19:18:18 UTC 2023

PRIMARY

PUBCHEM

5493604

Created by admin on Sat Dec 16 19:18:18 UTC 2023 , Edited by admin on Sat Dec 16 19:18:18 UTC 2023

PRIMARY

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