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CHEBI:215413 - Sinopestalotiollide A

ChEBI IDCHEBI:215413
ChEBI NameSinopestalotiollide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O6
Net Charge0
Average Mass370.401
Monoisotopic Mass370.14164
SMILESC=C(C)[C@H](CO)c1ccc2c(c1OC)C(=O)OCc1cc(C)cc(O)c1O2
InChIInChI=1S/C21H22O6/c1-11(2)15(9-22)14-5-6-17-18(20(14)25-4)21(24)26-10-13-7-12(3)8-16(23)19(13)27-17/h5-8,15,22-23H,1,9-10H2,2-4H3/t15-/m0/s1
InChIKeyVGRRRJVTFBDYHR-HNNXBMFYSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis palmarum (ncbitaxon:173185) - PubMed (29295796)
ChEBI Ontology
Outgoing Relation(s)
Sinopestalotiollide A (CHEBI:215413) is a aromatic ether (CHEBI:35618)
IUPAC Name 
6-hydroxy-2-(1-hydroxy-3-methylbut-3-en-2-yl)-1-methoxy-8-methyl-10H-benzo[b][1,5]benzodioxocin-12-one
Manual XrefsDatabases
90631129ChemSpider