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CHEBI:214984 - Heterocornol L

ChEBI IDCHEBI:214984
ChEBI NameHeterocornol L
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H24O6
Net Charge0
Average Mass348.395
Monoisotopic Mass348.15729
SMILESCC(=O)OC/C(C)=C/Cc1ccc(O)c2c1[C@H](CC(O)C(C)=O)OC2
InChIInChI=1S/C19H24O6/c1-11(9-24-13(3)21)4-5-14-6-7-16(22)15-10-25-18(19(14)15)8-17(23)12(2)20/h4,6-7,17-18,22-23H,5,8-10H2,1-3H3/b11-4+/t17?,18-/m0/s1
InChIKeyASYOOCLMBQIAEO-UDVKZRMKSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis heterocornis (ncbitaxon:285113) - PubMed (28675830)
ChEBI Ontology
Outgoing Relation(s)
Heterocornol L (CHEBI:214984) is a 2-benzofurans (CHEBI:38831)
IUPAC Name 
[(E)-4-[(3S)-7-hydroxy-3-(2-hydroxy-3-oxobutyl)-1,3-dihydro-2-benzouran-4-yl]-2-methylbut-2-enyl] acetate
Manual XrefsDatabases
63002657ChemSpider