2-cis-abscisate

2-<i>cis</i>-abscisate




Chemical Formula:
C15H19O4
Molecular Weight:
263.313 Daltons
Monoisotopic Mass:
264.1361591304 Daltons
SMILES:
CC(=CC([O-])=O)C=CC1(C(C)(C)CC(=O)C=C(C)1)O
InChI:
1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/p-1/b6-5+,10-7-/t15-/m1/s1
InChIKey:
JLIDBLDQVAYHNE-YKALOCIXSA-M

Synonyms
  • abscisic acid
  • ABA
  • abscisate
  • (+)-ABA
  • (+)-S-ABA
  • abscisin II
  • 2-cis-ABA
  • (+)-abscisate
  • 2-cis-abscisic acid
  • (7E,9Z)-(6S)-6-hydroxy-3-oxo-11-apo-ε-caroten-11-oate

Databases
MetaCyc:  CPD-693
RefMet:  Abscisic acid
HMDB:  HMDB35140
ChemSpider:  5584824
PubChem (CID):  7251168 5280896
ChEBI:  37569 2365
KEGG:  C06082
CAS:  21293-29-8
PupChem (SID):  8348
CHEMBL:  CHEMBL288040
KNApSAcK:  C00000134
PDB-CCD:  A8S
3DMET:  B00898
NIKKAJI:  J9.144H