CHEBI:192793 - cimicifugate E

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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 E
ChEBI ID CHEBI:192793
Definition Conjugate base of cimicifugic acid E; 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 C21H18O10
Net Charge -2
Average Mass 430.366
Monoisotopic Mass 430.09109
InChI InChI=1S/C21H20O10/c1-30-16-10-12(4-8-15(16)23)5-9-17(24)31-18(19(25)26)21(29,20(27)28)11-13-2-6-14(22)7-3-13/h2-10,18,22-23,29H,11H2,1H3,(H,25,26)(H,27,28)/p-2/b9-5+/t18-,21-/m1/s1
InChIKey CAIGUMKGQLGFBR-PZTMCFHLSA-L
SMILES C=1C=C(C=CC1C[C@](O)(C([O-])=O)[C@H](OC(/C=C/C=2C=CC(=C(C2)OC)O)=O)C([O-])=O)O
ChEBI Ontology
Outgoing cimicifugate E (CHEBI:192793) has functional parent (2R,3S)-piscidate (CHEBI:192789)
cimicifugate E (CHEBI:192793) is a benzenes (CHEBI:22712)
cimicifugate E (CHEBI:192793) is a carboxylic acid anion (CHEBI:29067)
Synonyms Sources
CA PF SUBMITTER
cimicifugate E UniProt
Citations Waiting for Citations Types Sources
19140115 PubMed citation SUBMITTER
31069522 PubMed citation SUBMITTER