2,3,6,8,9-pentahydroxy-1-oxo-3-(2-oxopropyl)-1,2,3,4-tetrahydroanthracene-2-carboxylate (CHEBI:149683)

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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	2,3,6,8,9-pentahydroxy-1-oxo-3-(2-oxopropyl)-1,2,3,4-tetrahydroanthracene-2-carboxylate

ChEBI ID	CHEBI:149683

Definition	Compound 8a

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

Submitter	Kristian Axelsen

Supplier Information

Download	Molfile XML SDF

Formula

C18H15O9

Net Charge

-1

Average Mass

375.310

Monoisotopic Mass

375.07216

InChI

InChI=1S/C18H16O9/c1-7(19)5-17(26)6-9-2-8-3-10(20)4-11(21)12(8)14(22)13(9)15(23)18(17,27)16(24)25/h2-4,20-22,26-27H,5-6H2,1H3,(H,24,25)/p-1

InChIKey

VCTAIMOLJVTPNG-UHFFFAOYSA-M

SMILES

C1(=CC(=CC2=C1C(=C3C(C(C(CC3=C2)(CC(C)=O)O)(C([O-])=O)O)=O)O)O)O

ChEBI Ontology
Outgoing	2,3,6,8,9-pentahydroxy-1-oxo-3-(2-oxopropyl)-1,2,3,4-tetrahydroanthracene-2-carboxylate (CHEBI:149683) has functional parent asperthecin (CHEBI:64161) 2,3,6,8,9-pentahydroxy-1-oxo-3-(2-oxopropyl)-1,2,3,4-tetrahydroanthracene-2-carboxylate (CHEBI:149683) is a α-hydroxy ketone (CHEBI:139588) 2,3,6,8,9-pentahydroxy-1-oxo-3-(2-oxopropyl)-1,2,3,4-tetrahydroanthracene-2-carboxylate (CHEBI:149683) is a monocarboxylic acid anion (CHEBI:35757)

Synonym	Source
2,3,6,8,9-pentahydroxy-1-oxo-3-(2-oxopropyl)-1,2,3,4-tetrahydroanthracene-2-carboxylate	UniProt

Citation	Type	Source
21866960	PubMed citation	SUBMITTER