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CHEBI:224019 - Guignardin D

ChEBI IDCHEBI:224019
ChEBI NameGuignardin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H14O8
Net Charge0
Average Mass418.357
Monoisotopic Mass418.06887
SMILESCC(=O)OC1=C(C(=O)O)C2(Oc3cccc4cccc(c34)O2)c2cccc(O)c2C1=O
InChIInChI=1S/C23H14O8/c1-11(24)29-21-19(22(27)28)23(13-7-4-8-14(25)18(13)20(21)26)30-15-9-2-5-12-6-3-10-16(31-23)17(12)15/h2-10,25H,1H3,(H,27,28)
InChIKeyMMCGVLZZEAAYNN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Guignardia (ncbitaxon:55180) - DOI (10.1016/j.tet.2014.06.041)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Guignardin D (CHEBI:224019) is a naphthoic acid (CHEBI:25483)
IUPAC Name 
3'-acetyloxy-5'-hydroxy-4'-oxospiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,1'-naphthalene]-2'-carboxylic acid
Manual XrefsDatabases
34981239ChemSpider