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

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ChEBI Name chrysoeriol C-hexoside-C-pentoside
ChEBI ID CHEBI:131761
ChEBI ASCII Name chrysoeriol C-hexoside-C-pentoside
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C27H30O15
Net Charge 0
Average Mass 594.519
Monoisotopic Mass 594.15847
InChI InChI=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
InChIKey JUYXQAXANUJFHU-UHFFFAOYSA-N
SMILES C=1(C(=CC(=C2C1OC(=CC2=O)C3=CC(=C(C(=C3)OC)O)C4OC(O)C(C4CO)O)O)O)C5OC(C(C(C5O)O)O)CO
ChEBI Ontology
Outgoing 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
Last Modified
18 April 2016