Coloratin A (CHEBI:227593)

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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	Coloratin A

ChEBI ID	CHEBI:227593

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H22O7

Net Charge

Average Mass

374.389

Monoisotopic Mass

374.13655

InChI

InChI=1S/C20H22O7/c1-4-5-6-7-12-8-13(11-27-20(12)24)18(21)17-15(19(22)23)9-14(25-2)10-16(17)26-3/h8-11H,4-7H2,1-3H3,(H,22,23)

InChIKey

KADMDYZCVRINBF-UHFFFAOYSA-N

SMILES

O=C1OC=C(C(=O)C2=C(OC)C=C(OC)C=C2C(=O)O)C=C1CCCCC

Metabolite of Species	Details
Xylaria intracolorata (NCBI:txid743261)	See: PubMed

ChEBI Ontology
Outgoing	Coloratin A (CHEBI:227593) is a aromatic ketone (CHEBI:76224)

IUPAC Name

3,5-dimethoxy-2-(6-oxo-5-pentylpyran-3-carbonyl)benzoic acid