EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:229565 - 3''-oxohomoorientin(2−)

ChEBI IDCHEBI:229565
ChEBI Name3''-oxohomoorientin(2−)
Stars
ASCII Name3''-oxohomoorientin(2-)
DefinitionMajor microspecies at pH 7.3
SubmitterAnne Morgat
DownloadsMolfile
FormulaC21H16O11
Net Charge-2
Average Mass444.348
Monoisotopic Mass444.07036
SMILESO=C1[C@@H](O)[C@H](c2c([O-])cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2[O-])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-2/t14-,17-,20-,21+/m1/s1
InChIKeyRNSACPUPPGOAKB-NVGWVTIJSA-L
ChEBI Ontology
Outgoing Relation(s)
3''-oxohomoorientin(2−) (CHEBI:229565) has functional parent isoorientin (CHEBI:17965)
3''-oxohomoorientin(2−) (CHEBI:229565) is a C-glycosyl compound (CHEBI:20857)
3''-oxohomoorientin(2−) (CHEBI:229565) is a tetrahydroxyflavone (CHEBI:38684)
3''-oxohomoorientin(2−) (CHEBI:229565) is conjugate base of 3''-dehydroisoorientin(1−) (CHEBI:194218)
Incoming Relation(s)
3''-dehydroisoorientin(1−) (CHEBI:194218) is conjugate acid of 3''-oxohomoorientin(2−) (CHEBI:229565)
Synonyms  Source
3''-dehydrohomoorientin(2−)SUBMITTER
3''-dehydroisoorientin(2−)SUBMITTER
Citations