CHEBI:110244 - 2-[(1R,3S,4aS,9aR)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 2-[(1R,3S,4aS,9aR)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid ChEBI ID CHEBI:110244 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 C20H21NO7S Net Charge 0 Average Mass 419.450 Monoisotopic Mass 419.10387 InChI InChI=1S/C20H21NO7S/c22-11-18-20-16(9-13(27-18)10-19(23)24)15-8-12(6-7-17(15)28-20)21-29(25,26)14-4-2-1-3-5-14/h1-8,13,16,18,20-22H,9-11H2,(H,23,24)/t13-,16-,18+,20+/m0/s1 InChIKey YMVYEFVBAYOYFR-XGJBHWFVSA-N SMILES C1[C@H](O[C@@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NS(=O)(=O)C4=CC=CC=C4)CO)CC(=O)O ChEBI Ontology Outgoing 2-[(1R,3S,4aS,9aR)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid (CHEBI:110244) is a sulfonamide (CHEBI:35358) Manual Xref Database LSM-21693 LINCS View more database links