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CHEBI:205392 - Pyrenochaetoxy A

ChEBI IDCHEBI:205392
ChEBI NamePyrenochaetoxy A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H20O6
Net Charge0
Average Mass332.352
Monoisotopic Mass332.12599
SMILESCOc1cccc(OC)c1[C@H]1OCc2c(O)cc(CO)c(OC)c21
InChIInChI=1S/C18H20O6/c1-21-13-5-4-6-14(22-2)16(13)18-15-11(9-24-18)12(20)7-10(8-19)17(15)23-3/h4-7,18-20H,8-9H2,1-3H3/t18-/m0/s1
InChIKeySUOTVBSEGVTHRV-SFHVURJKSA-N
Species of MetaboliteComponentSourceComments
Pyrenochaetaspecies (ncbitaxon:1755437) - PubMed (21644182)
ChEBI Ontology
Outgoing Relation(s)
Pyrenochaetoxy A (CHEBI:205392) is a dimethoxybenzene (CHEBI:51681)
IUPAC Name 
(1S)-1-(2,6-dimethoxyphenyl)-6-(hydroxymethyl)-7-methoxy-1,3-dihydro-2-benzouran-4-ol
Manual XrefsDatabases
78437278ChemSpider