CHEBI:110434 - 2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide
ChEBI ID CHEBI:110434
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C23H28N2O7S
Net Charge 0
Average Mass 476.545
Monoisotopic Mass 476.16172
InChI InChI=1S/C23H28N2O7S/c1-30-16-6-3-14(4-7-16)12-24-22(27)11-17-10-19-18-9-15(25-33(2,28)29)5-8-20(18)32-23(19)21(13-26)31-17/h3-9,17,19,21,23,25-26H,10-13H2,1-2H3,(H,24,27)/t17-,19+,21+,23-/m1/s1
InChIKey QYXXDFPSNSEWLS-QXPQREGVSA-N
SMILES COC1=CC=C(C=C1)CNC(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C
ChEBI Ontology
Outgoing 2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide (CHEBI:110434) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-21881 LINCS
View more database links