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CHEBI:144300 - Scrobiculin

Default Structure
ChEBI IDCHEBI:144300
ChEBI NameScrobiculin
Stars
Submittermwilliams
DownloadsMolfile
FormulaC22H26O8
Net Charge0
Average Mass418.442
Monoisotopic Mass418.16277
SMILESCCCc1cc(OC)cc(O)c1C(=O)Oc1c(O)cc(CCC)c(C(=O)OC)c1O
InChIInChI=1S/C22H26O8/c1-5-7-12-9-14(28-3)11-15(23)17(12)22(27)30-20-16(24)10-13(8-6-2)18(19(20)25)21(26)29-4/h9-11,23-25H,5-8H2,1-4H3
InChIKeyCFXORXZRGPTGFD-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Scrobiculin (CHEBI:144300) is a carbonyl compound (CHEBI:36586)