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CHEBI:144249 - Glomellic acid

Default Structure
ChEBI IDCHEBI:144249
ChEBI NameGlomellic acid
Stars
Submittermwilliams
DownloadsMolfile
FormulaC25H28O9
Net Charge0
Average Mass472.490
Monoisotopic Mass472.17333
SMILESCCCC(=O)Cc1cc(OC(=O)c2c(O)cc(OC)cc2CC(=O)CCC)cc(O)c1C(=O)O
InChIInChI=1S/C25H28O9/c1-4-6-16(26)8-14-11-19(13-20(28)22(14)24(30)31)34-25(32)23-15(9-17(27)7-5-2)10-18(33-3)12-21(23)29/h10-13,28-29H,4-9H2,1-3H3,(H,30,31)
InChIKeyQZZMDINWSWWNKM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Glomellic acid (CHEBI:144249) is a carbonyl compound (CHEBI:36586)