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CHEBI:122840 - 2-[(1R,3S,4aR,9aS)-6-[(2-cyclopropyl-1-oxoethyl)amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid

ChEBI IDCHEBI:122840
ChEBI Name2-[(1R,3S,4aR,9aS)-6-[(2-cyclopropyl-1-oxoethyl)amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
Stars
DownloadsMolfile
FormulaC19H23NO6
Net Charge0
Average Mass361.394
Monoisotopic Mass361.15254
SMILESO=C(O)C[C@@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@@H](CO)O1
InChIInChI=1S/C19H23NO6/c21-9-16-19-14(7-12(25-16)8-18(23)24)13-6-11(3-4-15(13)26-19)20-17(22)5-10-1-2-10/h3-4,6,10,12,14,16,19,21H,1-2,5,7-9H2,(H,20,22)(H,23,24)/t12-,14+,16+,19-/m0/s1
InChIKeyWISUKBIGDPLILZ-AXJQOJOCSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1R,3S,4aR,9aS)-6-[(2-cyclopropyl-1-oxoethyl)amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid (CHEBI:122840) is a furopyran (CHEBI:74927)
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