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CHEBI:77640 - apiin(1−)

ChEBI IDCHEBI:77640
ChEBI Nameapiin(1−)
Stars
ASCII Nameapiin(1-)
DefinitionAn organic anion that is the major structure of apiin at pH 7.3.
Last Modified17 April 2014
SubmitterAnne Morgat
DownloadsMolfile
FormulaC26H27O14
Net Charge-1
Average Mass563.488
Monoisotopic Mass563.14063
SMILESO=c1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@](O)(CO)[C@H]2O)cc2oc(-c3ccc(O)cc3)cc([O-])c1-2
InChIInChI=1S/C26H28O14/c27-8-18-20(32)21(33)22(40-25-23(34)26(35,9-28)10-36-25)24(39-18)37-13-5-14(30)19-15(31)7-16(38-17(19)6-13)11-1-3-12(29)4-2-11/h1-7,18,20-25,27-29,31-35H,8-10H2/p-1/t18-,20-,21+,22-,23+,24-,25+,26-/m1/s1
InChIKeyLXMDJNZIPXDDPK-YRCFQSNFSA-M
ChEBI Ontology
Outgoing Relation(s)
apiin(1−) (CHEBI:77640) is a organic anion (CHEBI:25696)
apiin(1−) (CHEBI:77640) is conjugate base of apiin (CHEBI:15932)
Incoming Relation(s)
apiin (CHEBI:15932) is conjugate acid of apiin(1−) (CHEBI:77640)
UniProt Name  Source
7-O-(β-D-apiofuranosyl-1,2-β-D-glucosyl)-5,7,4'-trihydroxyflavoneUniProt