Asebotin

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H26O10
Molecular Weight	450.4358
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C(C(=O)CCC3=CC=C(O)C=C3)C(O)=C1

InChI

InChIKey=PQCIBORQLVRFMR-MIUGBVLSSA-N

InChI=1S/C22H26O10/c1-30-13-8-15(26)18(14(25)7-4-11-2-5-12(24)6-3-11)16(9-13)31-22-21(29)20(28)19(27)17(10-23)32-22/h2-3,5-6,8-9,17,19-24,26-29H,4,7,10H2,1H3/t17-,19-,20+,21-,22-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H26O10
Molecular Weight	450.4358
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 09:08:32 GMT 2023` Edited by `admin` on `Sat Dec 16 09:08:32 GMT 2023`
Record UNII	Y7RG6SKW9Z
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Asebotin

Common Name

English

Asebotoside

Common Name

English

1-[2-(β-D-Glucopyranosyloxy)-6-hydroxy-4-methoxyphenyl]-3-(4-hydroxyphenyl)-1-propanone

Systematic Name

English

1-Propanone, 1-[2-(β-D-glucopyranosyloxy)-6-hydroxy-4-methoxyphenyl]-3-(4-hydroxyphenyl)-

Systematic Name

English

Code System Code Type Description

FDA UNII

Y7RG6SKW9Z

Created by admin on Sat Dec 16 09:08:32 GMT 2023 , Edited by admin on Sat Dec 16 09:08:32 GMT 2023

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CAS

11075-15-3

Created by admin on Sat Dec 16 09:08:32 GMT 2023 , Edited by admin on Sat Dec 16 09:08:32 GMT 2023

PRIMARY

PUBCHEM

3084086

Created by admin on Sat Dec 16 09:08:32 GMT 2023 , Edited by admin on Sat Dec 16 09:08:32 GMT 2023

PRIMARY

EPA CompTox

DTXSID60911840

Created by admin on Sat Dec 16 09:08:32 GMT 2023 , Edited by admin on Sat Dec 16 09:08:32 GMT 2023

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