Verrucigeric acid (CHEBI:218791)

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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	Verrucigeric acid

ChEBI ID	CHEBI:218791

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C21H18O10

Net Charge

Average Mass

430.365

Monoisotopic Mass

430.09000

InChI

InChI=1S/C21H18O10/c1-7-5-10(26-4)9-6-27-21(3,25)31-20-13-12(19(24)30-20)14(22)8(2)15-17(13)28-16(9)11(7)18(23)29-15/h5,20,22,25H,6H2,1-4H3

InChIKey

PYXLIRYVDGURGG-UHFFFAOYSA-N

SMILES

O=C1OC2=C3C4=C(C(=O)OC4OC(OCC=5C(=C1C(=CC5OC)C)O3)(O)C)C(=C2C)O

Metabolite of Species	Details
Xanthoparmelia verrucigera (NCBI:txid286384)	See: DOI

ChEBI Ontology
Outgoing	Verrucigeric acid (CHEBI:218791) is a aromatic ether (CHEBI:35618)

IUPAC Name

3,9-dihydroxy-13-methoxy-2,9,15-trimethyl-6,8,10,18,20-pentaoxapentacyclo[14.3.2.14,7.012,17.019,22]docosa-1(19),2,4(22),12,14,16-hexaene-5,21-dione