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CHEBI:144200 - Beta-Collatolic acid

ChEBI IDCHEBI:144200
ChEBI NameBeta-Collatolic acid
Stars
Submittermwilliams
DownloadsMolfile
FormulaC29H34O9
Net Charge0
Average Mass526.582
Monoisotopic Mass526.22028
SMILESCCCCCC(=O)Cc1c(Oc2cc(OC)cc3cc(CCCCC)oc(=O)c23)c(O)cc(O)c1C(=O)O
InChIInChI=1S/C29H34O9/c1-4-6-8-10-18(30)14-21-26(28(33)34)22(31)16-23(32)27(21)38-24-15-20(36-3)13-17-12-19(11-9-7-5-2)37-29(35)25(17)24/h12-13,15-16,31-32H,4-11,14H2,1-3H3,(H,33,34)
InChIKeyNDOGMEJTCDSZAS-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Beta-Collatolic acid (CHEBI:144200) is a isocoumarins (CHEBI:38758)