CHEBI:103816 - N-[(1R,3R,4aR,9aS)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

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ChEBI Name N-[(1R,3R,4aR,9aS)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
ChEBI ID CHEBI:103816
Stars This entity has been manually annotated by a third party.
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Formula C29H27FN2O7
Net Charge 0
Average Mass 534.533
Monoisotopic Mass 534.18023
InChI InChI=1S/C29H27FN2O7/c30-18-3-1-2-16(8-18)13-31-27(34)12-20-11-22-21-10-19(5-7-23(21)39-28(22)26(14-33)38-20)32-29(35)17-4-6-24-25(9-17)37-15-36-24/h1-10,20,22,26,28,33H,11-15H2,(H,31,34)(H,32,35)/t20-,22-,26-,28+/m1/s1
InChIKey HIMABYNGDRMZAM-DFQMGKBUSA-N
SMILES C1[C@@H](O[C@@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CC5=C(C=C4)OCO5)CO)CC(=O)NCC6=CC(=CC=C6)F
ChEBI Ontology
Outgoing N-[(1R,3R,4aR,9aS)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide (CHEBI:103816) is a furopyran (CHEBI:74927)
Manual Xref Database
LSM-15160 LINCS
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