CHEBI:110291 - 2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide

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ChEBI Name 2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide
ChEBI ID CHEBI:110291
Stars This entity has been manually annotated by a third party.
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Formula C23H27N3O6
Net Charge 0
Average Mass 441.478
Monoisotopic Mass 441.18999
InChI InChI=1S/C23H27N3O6/c1-30-13-22(29)26-15-2-3-19-17(8-15)18-9-16(31-20(12-27)23(18)32-19)10-21(28)25-11-14-4-6-24-7-5-14/h2-8,16,18,20,23,27H,9-13H2,1H3,(H,25,28)(H,26,29)/t16-,18+,20-,23-/m1/s1
InChIKey DBZIBAKRSCOVBR-RWSUSOHTSA-N
SMILES COCC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCC4=CC=NC=C4
ChEBI Ontology
Outgoing 2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide (CHEBI:110291) is a furopyran (CHEBI:74927)
Manual Xref Database
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