Thalassiolin C

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H20O13S
Molecular Weight	512.441
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=C(O)C=C4)[C@H](OS(O)(=O)=O)[C@@H](O)[C@@H]1O

InChI

InChIKey=JVXAACCAUUVSMP-QNDFHXLGSA-N

InChI=1S/C21H20O13S/c22-8-16-18(26)19(27)20(34-35(28,29)30)21(33-16)31-11-5-12(24)17-13(25)7-14(32-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-27H,8H2,(H,28,29,30)/t16-,18-,19+,20-,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H20O13S
Molecular Weight	512.441
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 19:29:30 GMT 2023` Edited by `admin` on `Sat Dec 16 19:29:30 GMT 2023`
Record UNII	HEN8X7CJ6V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Thalassiolin C

Common Name

English

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

Systematic Name

English

5-Hydroxy-2-(4-hydroxyphenyl)-7-[(2-O-sulfo-β-D-glucopyranosyl)oxy]-4H-1-benzopyran-4-one

Systematic Name

English

Code System Code Type Description

CAS

518057-56-2

Created by admin on Sat Dec 16 19:29:30 GMT 2023 , Edited by admin on Sat Dec 16 19:29:30 GMT 2023

PRIMARY

PUBCHEM

5493606

Created by admin on Sat Dec 16 19:29:30 GMT 2023 , Edited by admin on Sat Dec 16 19:29:30 GMT 2023

PRIMARY

FDA UNII

HEN8X7CJ6V

Created by admin on Sat Dec 16 19:29:30 GMT 2023 , Edited by admin on Sat Dec 16 19:29:30 GMT 2023

PRIMARY

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