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CHEBI:214604 - Pestalotiollide B

ChEBI IDCHEBI:214604
ChEBI NamePestalotiollide B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O7
Net Charge0
Average Mass386.400
Monoisotopic Mass386.13655
SMILESC=C(C)[C@H](O)[C@@H](O)c1ccc2c(c1OC)C(=O)OCc1cc(C)cc(O)c1O2
InChIInChI=1S/C21H22O7/c1-10(2)17(23)18(24)13-5-6-15-16(20(13)26-4)21(25)27-9-12-7-11(3)8-14(22)19(12)28-15/h5-8,17-18,22-24H,1,9H2,2-4H3/t17-,18-/m0/s1
InChIKeyHHLSDNCZICXJDV-ROUUACIJSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsisspecies (ncbitaxon:36460) - DOI (10.1016/j.tetlet.2010.10.131)
ChEBI Ontology
Outgoing Relation(s)
Pestalotiollide B (CHEBI:214604) is a aromatic ether (CHEBI:35618)
IUPAC Name 
2-[(1S,2S)-1,2-dihydroxy-3-methylbut-3-enyl]-6-hydroxy-1-methoxy-8-methyl-10H-benzo[b][1,5]benzodioxocin-12-one
Manual XrefsDatabases
27026273ChemSpider