CHEBI:102673 - 2-[(1S,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid

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ChEBI Name 2-[(1S,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid ChEBI ID CHEBI:102673 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C16H21NO5 Net Charge 0 Average Mass 307.342 Monoisotopic Mass 307.14197 InChI InChI=1S/C16H21NO5/c1-17(2)9-3-4-13-11(5-9)12-6-10(7-15(19)20)21-14(8-18)16(12)22-13/h3-5,10,12,14,16,18H,6-8H2,1-2H3,(H,19,20)/t10-,12+,14+,16-/m1/s1 InChIKey MUGALHVVQCOZES-IFXMJZAHSA-N SMILES CN(C)C1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@H]3CO)CC(=O)O ChEBI Ontology Outgoing 2-[(1S,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid (CHEBI:102673) is a furopyran (CHEBI:74927) Manual Xref Database LSM-14020 LINCS View more database links