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CHEBI:144111 - Alpha-collatolic acid

ChEBI IDCHEBI:144111
ChEBI NameAlpha-collatolic acid
Stars
Submittermwilliams
DownloadsMolfile
FormulaC29H34O9
Net Charge0
Average Mass526.582
Monoisotopic Mass526.22028
SMILESCCCCCC(=O)Cc1cc(OC)cc2c1C(=O)Oc1cc(O)c(C(=O)O)c(CC(=O)CCCCC)c1O2
InChIInChI=1S/C29H34O9/c1-4-6-8-10-18(30)12-17-13-20(36-3)15-23-25(17)29(35)38-24-16-22(32)26(28(33)34)21(27(24)37-23)14-19(31)11-9-7-5-2/h13,15-16,32H,4-12,14H2,1-3H3,(H,33,34)
InChIKeyQLTNFHFQLMFRBN-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Alpha-collatolic acid (CHEBI:144111) is a aromatic ether (CHEBI:35618)