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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name nomilin 17-β-D-glucoside(1−)
ChEBI ID CHEBI:231483
ChEBI ASCII Name nomilin 17-beta-D-glucoside(1-)
Definition Major species at pH 7.3
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C34H45O15
Net Charge -1
Average Mass 693.720
Monoisotopic Mass 693.27639
InChI InChI=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
InChIKey GIVMXHQLQAIYEX-ANSWNMHUSA-M
SMILES [C@@]12([C@]3([C@@]([C@@]4([C@](C(OC(C[C@@H]4OC(C)=O)=O)(C)C)(CC3=O)[H])C)(CC[C@@]1(C)[C@@H](O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C=6C=COC6)[H])C)[C@H](O2)C([O-])=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing nomilin 17-β-D-glucoside(1−) (CHEBI:231483) is a β-D-glucoside (CHEBI:22798)
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)
Synonym Source
nomilin 17-β-D-glucoside UniProt