CHEBI:101641 - 2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid

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ChEBI Name 2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid ChEBI ID CHEBI:101641 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 C21H22N2O6 Net Charge 0 Average Mass 398.410 Monoisotopic Mass 398.14779 InChI InChI=1S/C21H22N2O6/c24-11-18-21-16(9-14(28-18)10-20(26)27)15-8-13(1-2-17(15)29-21)23-19(25)7-12-3-5-22-6-4-12/h1-6,8,14,16,18,21,24H,7,9-11H2,(H,23,25)(H,26,27)/t14-,16-,18-,21+/m0/s1 InChIKey ZIYVXDMGZAADAL-YZZRYBLGSA-N SMILES C1[C@H](O[C@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)CC4=CC=NC=C4)CO)CC(=O)O ChEBI Ontology Outgoing 2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid (CHEBI:101641) is a furopyran (CHEBI:74927) Manual Xref Database LSM-13004 LINCS View more database links