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CHEBI:231483 - nomilin 17-β-D-glucoside(1−)

ChEBI IDCHEBI:231483
ChEBI Namenomilin 17-β-D-glucoside(1−)
Stars
ASCII Namenomilin 17-beta-D-glucoside(1-)
DefinitionMajor species at pH 7.3
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC34H45O15
Net Charge-1
Average Mass693.719
Monoisotopic Mass693.27639
SMILES[H][C@]12CC[C@@](C)([C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3ccoc3)[C@@]3(O[C@@H]3C(=O)[O-])[C@]1(C)C(=O)C[C@@]1([H])C(C)(C)OC(=O)C[C@H](OC(C)=O)[C@]21C
InChIInChI=1S/C34H46O15/c1-15(36)45-21-12-22(38)48-30(2,3)19-11-20(37)33(6)18(32(19,21)5)7-9-31(4,34(33)27(49-34)28(42)43)26(16-8-10-44-14-16)47-29-25(41)24(40)23(39)17(13-35)46-29/h8,10,14,17-19,21,23-27,29,35,39-41H,7,9,11-13H2,1-6H3,(H,42,43)/p-1/t17-,18-,19+,21+,23-,24+,25-,26+,27-,29+,31+,32-,33+,34-/m1/s1
InChIKeyGIVMXHQLQAIYEX-ANSWNMHUSA-M
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
nomilin 17-β-D-glucoside(1−) (CHEBI:231483) is a 5-oxo monocarboxylic acid anion (CHEBI:35975)
nomilin 17-β-D-glucoside(1−) (CHEBI:231483) is a epoxy monocarboxylic acid (CHEBI:23931)
nomilin 17-β-D-glucoside(1−) (CHEBI:231483) is a β-D-glucoside (CHEBI:22798)
UniProt Name  Source
nomilin 17-β-D-glucosideUniProt