CHEBI:110514 - N-[(1S,3S,4aR,9aS)-3-[2-(dimethylamino)-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-[(1S,3S,4aR,9aS)-3-[2-(dimethylamino)-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:110514
Stars This entity has been manually annotated by a third party.
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Formula C24H26N2O7
Net Charge 0
Average Mass 454.473
Monoisotopic Mass 454.17400
InChI InChI=1S/C24H26N2O7/c1-26(2)22(28)10-15-9-17-16-8-14(4-6-18(16)33-23(17)21(11-27)32-15)25-24(29)13-3-5-19-20(7-13)31-12-30-19/h3-8,15,17,21,23,27H,9-12H2,1-2H3,(H,25,29)/t15-,17+,21-,23-/m0/s1
InChIKey OYAAAFLFGWLAPV-KCLKCTNDSA-N
SMILES CN(C)C(=O)C[C@@H]1C[C@H]2[C@@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5
ChEBI Ontology
Outgoing N-[(1S,3S,4aR,9aS)-3-[2-(dimethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide (CHEBI:110514) is a furopyran (CHEBI:74927)
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