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CHEBI:131761 - chrysoeriol C-hexoside-C-pentoside

ChEBI IDCHEBI:131761
ChEBI Namechrysoeriol C-hexoside-C-pentoside
Stars
ASCII Namechrysoeriol C-hexoside-C-pentoside
Last Modified18 April 2016
Submittermwilliams
DownloadsMolfile
FormulaC27H30O15
Net Charge0
Average Mass594.522
Monoisotopic Mass594.15847
SMILESCOc1cc(-c2cc(=O)c3c(O)cc(O)c(C4OC(CO)C(O)C(O)C4O)c3o2)cc(C2OC(O)C(O)C2CO)c1O
InChIInChI=1S/C27H30O15/c1-39-15-3-8(2-9(19(15)33)24-10(6-28)20(34)27(38)42-24)14-5-13(32)17-11(30)4-12(31)18(25(17)40-14)26-23(37)22(36)21(35)16(7-29)41-26/h2-5,10,16,20-24,26-31,33-38H,6-7H2,1H3
InChIKeyJUYXQAXANUJFHU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
chrysoeriol C-hexoside-C-pentoside (CHEBI:131761) is a C-glycosyl compound (CHEBI:20857)
chrysoeriol C-hexoside-C-pentoside (CHEBI:131761) is a trihydroxyflavone (CHEBI:27116)
IUPAC Name 
1,5-anhydro-1-(2-{3-[4,5-dihydroxy-3-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-5-methoxyphenyl}-5,7-dihydroxy-4-oxo-4H-1-benzopyran-8-yl)hexitol