CHEBI:102683 - 2-[(1S,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid

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ChEBI Name 2-[(1S,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
ChEBI ID CHEBI:102683
Stars This entity has been manually annotated by a third party.
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Formula C20H20FNO7S
Net Charge 0
Average Mass 437.441
Monoisotopic Mass 437.09445
InChI InChI=1S/C20H20FNO7S/c21-11-1-4-14(5-2-11)30(26,27)22-12-3-6-17-15(7-12)16-8-13(9-19(24)25)28-18(10-23)20(16)29-17/h1-7,13,16,18,20,22-23H,8-10H2,(H,24,25)/t13-,16-,18-,20+/m0/s1
InChIKey BOKKRFULVUTARF-JQIPDMGMSA-N
SMILES C1[C@H](O[C@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NS(=O)(=O)C4=CC=C(C=C4)F)CO)CC(=O)O
ChEBI Ontology
Outgoing 2-[(1S,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid (CHEBI:102683) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-14030 LINCS
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