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CHEBI:220549 - Pestalotiollide C

ChEBI IDCHEBI:220549
ChEBI NamePestalotiollide C
Stars
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+/m1/s1
InChIKeyHHLSDNCZICXJDV-MSOLQXFVSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis (ncbitaxon:37840) - PubMed (31474098)
ChEBI Ontology
Outgoing Relation(s)
Pestalotiollide C (CHEBI:220549) is a aromatic ether (CHEBI:35618)
IUPAC Name 
2-[(1S,2R)-1,2-dihydroxy-3-methylbut-3-enyl]-6-hydroxy-1-methoxy-8-methyl-10H-benzo[b][1,5]benzodioxocin-12-one