CHEBI:100189 - N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide ChEBI ID CHEBI:100189 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 C30H30N2O7 Net Charge 0 Average Mass 530.570 Monoisotopic Mass 530.20530 InChI InChI=1S/C30H30N2O7/c33-16-27-29-23(14-21(38-27)15-28(34)31-11-10-18-4-2-1-3-5-18)22-13-20(7-9-24(22)39-29)32-30(35)19-6-8-25-26(12-19)37-17-36-25/h1-9,12-13,21,23,27,29,33H,10-11,14-17H2,(H,31,34)(H,32,35)/t21-,23+,27+,29-/m0/s1 InChIKey WERZBRNJFLNQTM-HTMHUVIFSA-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)NCCC6=CC=CC=C6 ChEBI Ontology Outgoing N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide (CHEBI:100189) is a furopyran (CHEBI:74927) Manual Xref Database LSM-11566 LINCS View more database links