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CHEBI:83081 - β-chrysopine

Default Structure
ChEBI IDCHEBI:83081
ChEBI Nameβ-chrysopine
Stars
ASCII Namebeta-chrysopine
DefinitionA chrysopine formally derived from β-D-fructopyranose.
Last Modified23 September 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC11H18N2O7
Net Charge0
Average Mass290.272
Monoisotopic Mass290.11140
SMILESNC(=O)CC[C@@H]1NC[C@]2(OC[C@@H](O)[C@@H](O)[C@@H]2O)OC1=O
InChIInChI=1S/C11H18N2O7/c12-7(15)2-1-5-10(18)20-11(4-13-5)9(17)8(16)6(14)3-19-11/h5-6,8-9,13-14,16-17H,1-4H2,(H2,12,15)/t5-,6+,8+,9-,11-/m0/s1
InChIKeyKPXUNMNRHZUNAN-IBRKFXTQSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
β-chrysopine (CHEBI:83081) is a chrysopine (CHEBI:83079)
IUPAC Name 
3-[(3S,6S,9R,10R,11S)-9,10,11-trihydroxy-2-oxo-1,7-dioxa-4-azaspiro[5.5]undec-3-yl]propanamide