CHEBI:192792 - cimicifugate J

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name cimicifugate J
ChEBI ID CHEBI:192792
Definition Conjugate base of cimicifugic acid J; major microspecies at pH 7.3.
Stars This entity has been manually annotated by a third party.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C22H20O11
Net Charge -2
Average Mass 460.392
Monoisotopic Mass 460.10166
InChI InChI=1S/C22H22O11/c1-31-15-9-13(10-16(32-2)18(15)25)5-8-17(24)33-19(20(26)27)22(30,21(28)29)11-12-3-6-14(23)7-4-12/h3-10,19,23,25,30H,11H2,1-2H3,(H,26,27)(H,28,29)/p-2/b8-5+/t19-,22-/m1/s1
InChIKey BTQPTWPZTSYUPW-AHKCGJDQSA-L
SMILES C=1C=C(C=CC1C[C@](O)(C([O-])=O)[C@H](OC(/C=C/C=2C=C(C(=C(C2)OC)O)OC)=O)C([O-])=O)O
ChEBI Ontology
Outgoing cimicifugate J (CHEBI:192792) has functional parent (2R,3S)-piscidate (CHEBI:192789)
cimicifugate J (CHEBI:192792) is a benzenes (CHEBI:22712)
cimicifugate J (CHEBI:192792) is a carboxylic acid anion (CHEBI:29067)
Synonyms Sources
CA PS SUBMITTER
cimicifugate J UniProt
Citations Waiting for Citations Types Sources
19140115 PubMed citation SUBMITTER
31069522 PubMed citation SUBMITTER