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CHEBI:145992 - orlandin(1−)

ChEBI IDCHEBI:145992
ChEBI Nameorlandin(1−)
Stars
ASCII Nameorlandin(1-)
DefinitionA phenolate anion resulting from the deprotonation of the 7-hydroxy group orlandin. It is the major microspecies at pH 7.3.
Last Modified5 February 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC22H17O8
Net Charge-1
Average Mass409.370
Monoisotopic Mass409.09289
SMILESCOc1cc(=O)oc2c(-c3c(O)cc(C)c4c(OC)cc(=O)oc34)c([O-])cc(C)c12
InChIInChI=1S/C22H18O8/c1-9-5-11(23)19(21-17(9)13(27-3)7-15(25)29-21)20-12(24)6-10(2)18-14(28-4)8-16(26)30-22(18)20/h5-8,23-24H,1-4H3/p-1
InChIKeySSGXAFNGBRRLQM-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
orlandin(1−) (CHEBI:145992) is a phenolate anion (CHEBI:50525)
orlandin(1−) (CHEBI:145992) is conjugate base of orlandin (CHEBI:64473)
Incoming Relation(s)
orlandin (CHEBI:64473) is conjugate acid of orlandin(1−) (CHEBI:145992)
IUPAC Name 
7'-hydroxy-4,4'-dimethoxy-5,5'-dimethyl-2,2'-dioxo-2H,2'H-[8,8'-bichromen]-7-olate
Synonyms  Source
7'-hydroxy-4,4'-dimethoxy-5,5'-dimethyl-2,2'-dioxo-2H,2'H-[8,8'-bi-1-benzopyran]-7-olateIUPAC
orlandin anionChEBI
UniProt Name  Source
orlandinUniProt
Citations