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CHEBI:216684 - Chalybaeizanic acid

ChEBI IDCHEBI:216684
ChEBI NameChalybaeizanic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H10O10
Net Charge0
Average Mass386.268
Monoisotopic Mass386.02740
SMILESCc1cc(=O)c(=CO)c2oc3c4c(c(=O)c(=CO)c=3oc(=O)c1=2)C(=O)O[C@@H]4O
InChIInChI=1S/C18H10O10/c1-5-2-8(21)6(3-19)13-9(5)16(23)27-14-7(4-20)12(22)10-11(15(14)26-13)18(25)28-17(10)24/h2-4,18-20,25H,1H3/t18-/m0/s1
InChIKeySGNGKKZHLCBIOI-SFHVURJKSA-N
Species of MetaboliteComponentSourceComments
Xanthoparmelia (ncbitaxon:111621) - DOI (10.1071/ch99056)
ChEBI Ontology
Outgoing Relation(s)
Chalybaeizanic acid (CHEBI:216684) is a benzofurans (CHEBI:35259)
IUPAC Name 
17-hydroxy-4,12-bis(hydroxymethylidene)-7-methyl-2,10,16-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(11),3(8),6,14(18)-tetraene-5,9,13,15-tetrone
Manual XrefsDatabases
78435506ChemSpider