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CHEBI:194218 - 3''-dehydroisoorientin(1−)

ChEBI IDCHEBI:194218
ChEBI Name3''-dehydroisoorientin(1−)
Stars
ASCII Name3''-dehydroisoorientin(1-)
DefinitionMajor species at pH 7.3
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC21H17O11
Net Charge-1
Average Mass445.356
Monoisotopic Mass445.07763
SMILESO=C1[C@@H](O)[C@H](c2c([O-])cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)O[C@H](CO)[C@H]1O
InChIInChI=1S/C21H18O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,20-24,26-28,30H,6H2/p-1/t14-,17-,20-,21+/m1/s1
InChIKeyRNSACPUPPGOAKB-NVGWVTIJSA-M
ChEBI Ontology
Outgoing Relation(s)
3''-dehydroisoorientin(1−) (CHEBI:194218) is a phenolate anion (CHEBI:50525)
3''-dehydroisoorientin(1−) (CHEBI:194218) is conjugate acid of 3''-oxohomoorientin(2−) (CHEBI:229565)
Incoming Relation(s)
3''-oxohomoorientin(2−) (CHEBI:229565) is conjugate base of 3''-dehydroisoorientin(1−) (CHEBI:194218)
UniProt Name  Source
3''-dehydroisoorientinUniProt
Citations