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CHEBI:199222 - Pyrenochaetolide A

ChEBI IDCHEBI:199222
ChEBI NamePyrenochaetolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H18O7
Net Charge0
Average Mass346.335
Monoisotopic Mass346.10525
SMILESCOc1cccc(OC)c1[C@H]1OC(=O)c2cc(CO)c(OC)c(O)c21
InChIInChI=1S/C18H18O7/c1-22-11-5-4-6-12(23-2)14(11)17-13-10(18(21)25-17)7-9(8-19)16(24-3)15(13)20/h4-7,17,19-20H,8H2,1-3H3/t17-/m0/s1
InChIKeyMNUUXJXTUTUKJJ-KRWDZBQOSA-N
Species of MetaboliteComponentSourceComments
Pyrenochaetaspecies (ncbitaxon:1755437) - PubMed (21644182)
ChEBI Ontology
Outgoing Relation(s)
Pyrenochaetolide A (CHEBI:199222) is a benzofurans (CHEBI:35259)
IUPAC Name 
(3S)-3-(2,6-dimethoxyphenyl)-4-hydroxy-6-(hydroxymethyl)-5-methoxy-3H-2-benzouran-1-one
Manual XrefsDatabases
78436477ChemSpider