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CHEBI:213618 - Paeciloxocin A

ChEBI IDCHEBI:213618
ChEBI NamePaeciloxocin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24O6
Net Charge0
Average Mass372.417
Monoisotopic Mass372.15729
SMILESCOc1c([C@@H](O)CC(C)C)ccc2c1Oc1c(O)cc(C)cc1COC2=O
InChIInChI=1S/C21H24O6/c1-11(2)7-16(22)14-5-6-15-20(19(14)25-4)27-18-13(10-26-21(15)24)8-12(3)9-17(18)23/h5-6,8-9,11,16,22-23H,7,10H2,1-4H3/t16-/m0/s1
InChIKeyWTPJMCRVDYJMNT-INIZCTEOSA-N
Species of MetaboliteComponentSourceComments
Paecilomycesspecies (ncbitaxon:40383) - DOI (10.1007/s11172-010-0290-1)
ChEBI Ontology
Outgoing Relation(s)
Paeciloxocin A (CHEBI:213618) is a aromatic ether (CHEBI:35618)
IUPAC Name 
4-hydroxy-7-(1-hydroxy-3-methylbutyl)-6-methoxy-2-methyl-12H-benzo[b][1,5]benzodioxocin-10-one
Manual XrefsDatabases
27026150ChemSpider