CHEBI:117545 - 2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester

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ChEBI Name 2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
ChEBI ID CHEBI:117545
Stars This entity has been manually annotated by a third party.
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Formula C22H25NO8S
Net Charge 0
Average Mass 463.503
Monoisotopic Mass 463.13009
InChI InChI=1S/C22H25NO8S/c1-28-14-4-3-5-16(9-14)32(26,27)23-13-6-7-19-17(8-13)18-10-15(11-21(25)29-2)30-20(12-24)22(18)31-19/h3-9,15,18,20,22-24H,10-12H2,1-2H3/t15-,18+,20-,22-/m1/s1
InChIKey XGRVZSSSNYUCOS-SNDIGXPUSA-N
SMILES COC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@@H]4CO)CC(=O)OC
ChEBI Ontology
Outgoing 2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester (CHEBI:117545) is a sulfonamide (CHEBI:35358)
Manual Xref Database
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