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CHEBI:216150 - Mollicellin O

Default Structure
ChEBI IDCHEBI:216150
ChEBI NameMollicellin O
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H26O6
Net Charge0
Average Mass398.455
Monoisotopic Mass398.17294
SMILESCCOCc1c(O)cc(C)c2c1Oc1cc(O)c(CC=C(C)C)c(C)c1OC2=O
InChIInChI=1S/C23H26O6/c1-6-27-11-16-17(24)9-13(4)20-22(16)28-19-10-18(25)15(8-7-12(2)3)14(5)21(19)29-23(20)26/h7,9-10,24-25H,6,8,11H2,1-5H3
InChIKeyBNZBULUKUXRXNL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Chaetomium (ncbitaxon:5149) - PubMed (30563178)
ChEBI Ontology
Outgoing Relation(s)
Mollicellin O (CHEBI:216150) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
10-(ethoxymethyl)-2,9-dihydroxy-4,7-dimethyl-3-(3-methylbut-2-enyl)benzo[b][1,4]benzodioxepin-6-one