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CHEBI:208535 - Penicillolide

ChEBI IDCHEBI:208535
ChEBI NamePenicillolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H16O8
Net Charge0
Average Mass372.329
Monoisotopic Mass372.08452
SMILESCOc1cc2c(c(O)c1O)[C@@H]1C[C@@]3(OC2)C(=O)c2c(coc2C)[C@@H]3C(=O)O1
InChIInChI=1S/C19H16O8/c1-7-12-9(6-25-7)14-18(23)27-11-4-19(14,17(12)22)26-5-8-3-10(24-2)15(20)16(21)13(8)11/h3,6,11,14,20-21H,4-5H2,1-2H3/t11-,14+,19-/m0/s1
InChIKeyJVNJAHDDOGWQSZ-SZEPBZDZSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (26499896)
ChEBI Ontology
Outgoing Relation(s)
Penicillolide (CHEBI:208535) is a methoxybenzenes (CHEBI:51683)
IUPAC Name 
(1S,8S,11S)-13,14-dihydroxy-15-methoxy-4-methyl-5,10,19-trioxapentacyclo[9.8.1.01,8.03,7.012,17]icosa-3,6,12,14,16-pentaene-2,9-dione
Manual XrefsDatabases
58196596ChemSpider