Glucoemodin (CHEBI:176088)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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	Glucoemodin

ChEBI ID	CHEBI:176088

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

InChIKey

UBVJENDWBOVRBS-UHFFFAOYSA-N

SMILES

O1C(C(O)C(O)C(O)C1OC2=CC3=C(C(O)=C2)C(=O)C4=C(C3=O)C=C(C=C4O)C)CO

ChEBI Ontology
Outgoing	Glucoemodin (CHEBI:176088) is a anthraquinone (CHEBI:22580)

IUPAC Name

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