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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 12-hydroxyjasmonic acid 12-O-β-D-glucoside
ChEBI ID CHEBI:37419
ChEBI ASCII Name 12-hydroxyjasmonic acid 12-O-beta-D-glucoside
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:9772, CHEBI:27169
Supplier Information
Download Molfile XML SDF
Formula C18H28O9
Net Charge 0
Average Mass 386.43670
Monoisotopic Mass 386.19407
InChI InChI=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
InChIKey MUTMEENBPQXSKZ-XHNXTXELSA-N
SMILES CC[C@H]1O[C@@H](OCC\C=C/C[C@@H]2[C@H](CCC2=O)CC(O)=O)[C@H](O)[C@@H](O)[C@@H]1O
ChEBI Ontology
Outgoing 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 glucoside KEGG COMPOUND
Manual Xrefs Databases
C00001326 KNApSAcK
C08558 KEGG COMPOUND
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Registry Number Type Source
120399-24-8 CAS Registry Number KEGG COMPOUND
Last Modified
04 August 2014