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CHEBI:37419 - 12-hydroxyjasmonic acid 12-O-β-D-glucoside

ChEBI IDCHEBI:37419
ChEBI Name12-hydroxyjasmonic acid 12-O-β-D-glucoside
Stars
ASCII Name12-hydroxyjasmonic acid 12-O-beta-D-glucoside
Secondary ChEBI IDsCHEBI:9772, CHEBI:27169
Last Modified3 August 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC19H30O8
Net Charge0
Average Mass386.441
Monoisotopic Mass386.19407
SMILESCC[C@H]1O[C@@H](OCC/C=C\C[C@H]2C(=O)CC[C@@H]2CC(=O)O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C19H30O8/c1-2-14-16(23)17(24)18(25)19(27-14)26-9-5-3-4-6-12-11(10-15(21)22)7-8-13(12)20/h3-4,11-12,14,16-19,23-25H,2,5-10H2,1H3,(H,21,22)/b4-3-/t11-,12-,14-,16-,17+,18-,19-/m1/s1
InChIKeyMUTMEENBPQXSKZ-XHNXTXELSA-N
ChEBI Ontology
Outgoing Relation(s)
12-hydroxyjasmonic acid 12-O-β-D-glucoside (CHEBI:37419) has functional parent 12-hydroxyjasmonic acid (CHEBI:37420)
12-hydroxyjasmonic acid 12-O-β-D-glucoside (CHEBI:37419) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
{(1R,2R)-2-[(2Z)-5-(β-D-glucopyranosyloxy)pent-2-en-1-yl]-3-oxocyclopentyl}acetic acid
Synonym  Source
Tuberonic acid glucosideKEGG COMPOUND
Manual XrefsDatabases
C08558KEGG COMPOUND
C00001326KNApSAcK
Registry NumbersSources
CAS:120399-24-8KEGG COMPOUND