Thalassiolin B

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H22O14S
Molecular Weight	542.467
Optical Activity	( - )
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C(O)C=CC(=C1)C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4OS(O)(=O)=O)C=C3O2

InChI

InChIKey=UKJYXZRYJZSCBM-MIUGBVLSSA-N

InChI=1S/C22H22O14S/c1-32-15-4-9(2-3-11(15)24)14-7-13(26)18-12(25)5-10(6-16(18)34-14)33-22-21(36-37(29,30)31)20(28)19(27)17(8-23)35-22/h2-7,17,19-25,27-28H,8H2,1H3,(H,29,30,31)/t17-,19-,20+,21-,22-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H22O14S
Molecular Weight	542.467
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 19:23:44 GMT 2023` Edited by `admin` on `Sat Dec 16 19:23:44 GMT 2023`
Record UNII	BE7WA32HE2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Thalassiolin B

Common Name

English

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

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

FDA UNII

BE7WA32HE2

Created by admin on Sat Dec 16 19:23:45 GMT 2023 , Edited by admin on Sat Dec 16 19:23:45 GMT 2023

PRIMARY

PUBCHEM

5493605

Created by admin on Sat Dec 16 19:23:45 GMT 2023 , Edited by admin on Sat Dec 16 19:23:45 GMT 2023

PRIMARY

CAS

518057-59-5

Created by admin on Sat Dec 16 19:23:45 GMT 2023 , Edited by admin on Sat Dec 16 19:23:45 GMT 2023

PRIMARY

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