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CHEBI:83859 - dalnigrein(1−)

ChEBI IDCHEBI:83859
ChEBI Namedalnigrein(1−)
Stars
ASCII Namedalnigrein(1-)
DefinitionA flavonoid oxoanion that is the conjugate base of dalnigrein, obtained by deprotonation of the 7-hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified9 February 2015
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC19H17O7
Net Charge-1
Average Mass357.338
Monoisotopic Mass357.09798
SMILESCOc1cc2c(=O)c(-c3cc(OC)c(OC)cc3OC)coc2cc1[O-]
InChIInChI=1S/C19H18O7/c1-22-14-8-18(25-4)17(24-3)5-10(14)12-9-26-15-7-13(20)16(23-2)6-11(15)19(12)21/h5-9,20H,1-4H3/p-1
InChIKeyHCBHUSZRPOFQMN-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
dalnigrein(1−) (CHEBI:83859) is a flavonoid oxoanion (CHEBI:60038)
dalnigrein(1−) (CHEBI:83859) is conjugate base of dalnigrein (CHEBI:55551)
Incoming Relation(s)
dalnigrein (CHEBI:55551) is conjugate acid of dalnigrein(1−) (CHEBI:83859)
IUPAC Name 
6-methoxy-4-oxo-3-(2,4,5-trimethoxyphenyl)-4H-chromen-7-olate
UniProt Name  Source
dalnigreinUniProt