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CHEBI:229010 - 3-n-Butyl-3-hydroxy-4,5,6,7-tetrahydro-6,7-dihydroxy phthalide

ChEBI IDCHEBI:229010
ChEBI Name3-n-Butyl-3-hydroxy-4,5,6,7-tetrahydro-6,7-dihydroxy phthalide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H18O5
Net Charge0
Average Mass242.271
Monoisotopic Mass242.11542
SMILESCCCCC1(O)OC(=O)C2=C1CCC(O)C2O
InChIInChI=1S/C12H18O5/c1-2-3-6-12(16)7-4-5-8(13)10(14)9(7)11(15)17-12/h8,10,13-14,16H,2-6H2,1H3
InChIKeyZZFPYEQIYOWDGH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
3-n-Butyl-3-hydroxy-4,5,6,7-tetrahydro-6,7-dihydroxy phthalide (CHEBI:229010) is a 2-benzofurans (CHEBI:38831)
IUPAC Name 
3-butyl-3,6,7-trihydroxy-4,5,6,7-tetrahydro-2-benzouran-1-one
Manual XrefsDatabases
4474844ChemSpider