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CHEBI:213509 - (3S,3'R)-3-(3'-hydroxybutyl)-7-methoxyphthalide

ChEBI IDCHEBI:213509
ChEBI Name(3S,3'R)-3-(3'-hydroxybutyl)-7-methoxyphthalide
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SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16O4
Net Charge0
Average Mass236.267
Monoisotopic Mass236.10486
SMILESCOc1cccc2c1C(=O)O[C@H]2CC[C@@H](C)O
InChIInChI=1S/C13H16O4/c1-8(14)6-7-10-9-4-3-5-11(16-2)12(9)13(15)17-10/h3-5,8,10,14H,6-7H2,1-2H3/t8-,10+/m1/s1
InChIKeyIMCPAQHSMNCJDT-SCZZXKLOSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S,3'R)-3-(3'-hydroxybutyl)-7-methoxyphthalide (CHEBI:213509) is a benzofurans (CHEBI:35259)
IUPAC Name 
(3S)-3-[(3R)-3-hydroxybutyl]-7-methoxy-3H-2-benzouran-1-one
Manual XrefsDatabases
27023191ChemSpider