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CHEBI:212369 - (3'S)-(E)-7-hydroxy-5-methoxy-4-methyl-6-(2-(2-methyl-5-oxotetrahydrofuran-2-yl)vinyl)isobenzofuran-1(3H)-one

ChEBI IDCHEBI:212369
ChEBI Name(3'S)-(E)-7-hydroxy-5-methoxy-4-methyl-6-(2-(2-methyl-5-oxotetrahydrofuran-2-yl)vinyl)isobenzofuran-1(3H)-one
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H18O6
Net Charge0
Average Mass318.325
Monoisotopic Mass318.11034
SMILESCOc1c(C)c2c(c(O)c1/C=C/[C@]1(C)CCC(=O)O1)C(=O)OC2
InChIInChI=1S/C17H18O6/c1-9-11-8-22-16(20)13(11)14(19)10(15(9)21-3)4-6-17(2)7-5-12(18)23-17/h4,6,19H,5,7-8H2,1-3H3/b6-4+/t17-/m1/s1
InChIKeyYRCZYVVTZJUYBJ-UKINESCASA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (28218640)
ChEBI Ontology
Outgoing Relation(s)
(3'S)-(E)-7-hydroxy-5-methoxy-4-methyl-6-(2-(2-methyl-5-oxotetrahydrofuran-2-yl)vinyl)isobenzofuran-1(3H)-one (CHEBI:212369) is a 2-benzofurans (CHEBI:38831)
IUPAC Name 
7-hydroxy-5-methoxy-4-methyl-6-[(E)-2-[(2S)-2-methyl-5-oxooxolan-2-yl]ethenyl]-3H-2-benzouran-1-one
Manual XrefsDatabases
61362101ChemSpider