CHEBI:192790 - cimicifugate K

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 K
ChEBI ID CHEBI:192790
Definition Conjugate base of cimicifugic acid K; 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 C20H16O9
Net Charge -2
Average Mass 400.340
Monoisotopic Mass 400.08053
InChI InChI=1S/C20H18O9/c21-14-6-1-12(2-7-14)5-10-16(23)29-17(18(24)25)20(28,19(26)27)11-13-3-8-15(22)9-4-13/h1-10,17,21-22,28H,11H2,(H,24,25)(H,26,27)/p-2/b10-5+/t17-,20-/m1/s1
InChIKey BNBCNSZOUCPLOA-HHSWOIGYSA-L
SMILES C=1C=C(C=CC1C[C@](O)(C([O-])=O)[C@H](OC(/C=C/C=2C=CC(=CC2)O)=O)C([O-])=O)O
ChEBI Ontology
Outgoing cimicifugate K (CHEBI:192790) is a benzenes (CHEBI:22712)
cimicifugate K (CHEBI:192790) is a carboxylic acid anion (CHEBI:29067)
Synonyms Sources
CA PP SUBMITTER
cimicifugate K UniProt
Citations Waiting for Citations Types Sources
19140115 PubMed citation SUBMITTER
31069522 PubMed citation SUBMITTER