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CHEBI:213567 - Hydroxypenicillide

ChEBI IDCHEBI:213567
ChEBI NameHydroxypenicillide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24O7
Net Charge0
Average Mass388.416
Monoisotopic Mass388.15220
SMILESCOc1c([C@@H](O)CC(C)C)ccc2c1C(=O)OCc1cc(CO)cc(O)c1O2
InChIInChI=1S/C21H24O7/c1-11(2)6-15(23)14-4-5-17-18(20(14)26-3)21(25)27-10-13-7-12(9-22)8-16(24)19(13)28-17/h4-5,7-8,11,15,22-24H,6,9-10H2,1-3H3/t15-/m0/s1
InChIKeyVKKGCSCGDNERLX-HNNXBMFYSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (26291474)
ChEBI Ontology
Outgoing Relation(s)
Hydroxypenicillide (CHEBI:213567) is a aromatic ether (CHEBI:35618)
IUPAC Name 
4-hydroxy-2-(hydroxymethyl)-8-[(1S)-1-hydroxy-3-methylbutyl]-9-methoxy-12H-benzo[b][1,5]benzodioxocin-10-one
Manual XrefsDatabases
40256570ChemSpider