CHEBI:211224 - Methyl (R)-2-(2-(2-hydroxypropan-2-yl)-2,3-dihydrobenzofuran-5-yl) acetate

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ChEBI Name Methyl (R)-2-(2-(2-hydroxypropan-2-yl)-2,3-dihydrobenzofuran-5-yl) acetate
ChEBI ID CHEBI:211224
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H18O4
Net Charge 0
Average Mass 250.294
Monoisotopic Mass 250.12051
InChI InChI=1S/C14H18O4/c1-14(2,16)12-8-10-6-9(7-13(15)17-3)4-5-11(10)18-12/h4-6,12,16H,7-8H2,1-3H3/t12-/m1/s1
InChIKey GDYAJHUWOOEIEA-GFCCVEGCSA-N
SMILES O=C(OC)CC1=CC2=C(O[C@H](C2)C(O)(C)C)C=C1
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: DOI
ChEBI Ontology
Outgoing Methyl (R)-2-(2-(2-hydroxypropan-2-yl)-2,3-dihydrobenzofuran-5-yl) acetate (CHEBI:211224) is a 1-benzofurans (CHEBI:38830)
IUPAC Name
methyl 2-[(2R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzouran-5-yl]acetate
Manual Xref Database
75590303 ChemSpider
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