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CHEBI:100768 - 2-[(1R,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid

ChEBI IDCHEBI:100768
ChEBI Name2-[(1R,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
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DownloadsMolfile
FormulaC16H21NO5
Net Charge0
Average Mass307.346
Monoisotopic Mass307.14197
SMILESCN(C)c1ccc2c(c1)[C@@H]1C[C@H](CC(=O)O)O[C@H](CO)[C@@H]1O2
InChIInChI=1S/C16H21NO5/c1-17(2)9-3-4-13-11(5-9)12-6-10(7-15(19)20)21-14(8-18)16(12)22-13/h3-5,10,12,14,16,18H,6-8H2,1-2H3,(H,19,20)/t10-,12+,14-,16-/m1/s1
InChIKeyMUGALHVVQCOZES-HTWGDNNSSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1R,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid (CHEBI:100768) is a furopyran (CHEBI:74927)
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