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CHEBI:18446 - (+)-cucurbic acid

ChEBI IDCHEBI:18446
ChEBI Name(+)-cucurbic acid
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC12H20O3
Net Charge0
Average Mass212.289
Monoisotopic Mass212.14124
SMILESCC/C=C\C[C@H]1[C@@H](CC(=O)O)CC[C@@H]1O
InChIInChI=1S/C12H20O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-11,13H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10+,11+/m1/s1
InChIKeyLYSGIJUGUGJIPS-UOMVISFLSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
jasmonates  The jasmonates (JAs) are a group of plant hormones which help regulate plant growth and development.
ChEBI Ontology
Outgoing Relation(s)
(+)-cucurbic acid (CHEBI:18446) has functional parent jasmonic acid (CHEBI:18292)
(+)-cucurbic acid (CHEBI:18446) has role jasmonates (CHEBI:24937)
(+)-cucurbic acid (CHEBI:18446) is a hydroxy monocarboxylic acid (CHEBI:35868)
IUPAC Name 
{(1R,2S,3S)-3-hydroxy-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetic acid
Synonym  Source
(3R,6S,7S)-cucurbic acidChEBI
Manual XrefsDatabases
C08482KEGG COMPOUND
C00001305KNApSAcK
Registry NumbersSources
Beilstein:5477675Beilstein
CAS:58240-50-9KEGG COMPOUND