1-O-beta-D-Glucopyranosylaloeemodin (CHEBI:176084)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	1-O-beta-D-Glucopyranosylaloeemodin

ChEBI ID	CHEBI:176084

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C21H20O10

Net Charge

Average Mass

432.381

Monoisotopic Mass

432.10565

InChI

InChI=1S/C21H20O10/c22-6-8-4-10-15(18(27)14-9(16(10)25)2-1-3-11(14)24)12(5-8)30-21-20(29)19(28)17(26)13(7-23)31-21/h1-5,13,17,19-24,26,28-29H,6-7H2

InChIKey

SJFGNHVZJUSQBX-UHFFFAOYSA-N

SMILES

O1C(C(O)C(O)C(O)C1OC=2C3=C(C=C(C2)CO)C(=O)C4=C(C3=O)C(O)=CC=C4)CO

ChEBI Ontology
Outgoing	1-O-beta-D-Glucopyranosylaloeemodin (CHEBI:176084) is a anthraquinone (CHEBI:22580)

IUPAC Name

8-hydroxy-3-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione