CHEBI:123014 - 2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenoxyphenyl)methyl]acetamide

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ChEBI Name 2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenoxyphenyl)methyl]acetamide
ChEBI ID CHEBI:123014
Stars This entity has been manually annotated by a third party.
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Formula C28H30N2O7S
Net Charge 0
Average Mass 538.614
Monoisotopic Mass 538.17737
InChI InChI=1S/C28H30N2O7S/c1-38(33,34)30-19-9-12-25-23(13-19)24-14-22(36-26(17-31)28(24)37-25)15-27(32)29-16-18-7-10-21(11-8-18)35-20-5-3-2-4-6-20/h2-13,22,24,26,28,30-31H,14-17H2,1H3,(H,29,32)/t22-,24-,26-,28+/m1/s1
InChIKey DXWDIHWCVARGHC-HXCADUBKSA-N
SMILES CS(=O)(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCC4=CC=C(C=C4)OC5=CC=CC=C5
ChEBI Ontology
Outgoing 2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenoxyphenyl)methyl]acetamide (CHEBI:123014) is a aromatic ether (CHEBI:35618)
Manual Xref Database
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