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CHEBI:83882 - torvanol A(1−)

ChEBI IDCHEBI:83882
ChEBI Nametorvanol A(1−)
Stars
ASCII Nametorvanol A(1-)
DefinitionAn organosulfonate oxoanion that is the conjugate base of torvanol A hydrogen sulfate.
Last Modified26 November 2014
Submitternamrata
DownloadsMolfile
FormulaC20H19O10S
Net Charge-1
Average Mass451.429
Monoisotopic Mass451.07044
SMILESCOc1ccc2c(c1)[C@@H](OS(=O)(=O)[O-])[C@H](c1cc(/C=C/C(=O)O)cc(OC)c1O)CO2
InChIInChI=1S/C20H20O10S/c1-27-12-4-5-16-14(9-12)20(30-31(24,25)26)15(10-29-16)13-7-11(3-6-18(21)22)8-17(28-2)19(13)23/h3-9,15,20,23H,10H2,1-2H3,(H,21,22)(H,24,25,26)/p-1/b6-3+/t15-,20+/m0/s1
InChIKeyXKGLTSPFQHSIDD-HKYAKFGFSA-M
ChEBI Ontology
Outgoing Relation(s)
torvanol A(1−) (CHEBI:83882) is a organosulfonate oxoanion (CHEBI:33554)
torvanol A(1−) (CHEBI:83882) is conjugate base of torvanol A hydrogen sulfate (CHEBI:83883)
Incoming Relation(s)
torvanol A (CHEBI:66258) has part torvanol A(1−) (CHEBI:83882)
torvanol A hydrogen sulfate (CHEBI:83883) is conjugate acid of torvanol A(1−) (CHEBI:83882)
IUPAC Name 
rel-(3R,4S)-3-{5-[(E)-2-carboxyethenyl]-2-hydroxy-3-methoxyphenyl}-6-methoxy-3,4-dihydro-2H-chromen-4-yl sulfate