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CHEBI:134704 - monoxerutin

ChEBI IDCHEBI:134704
ChEBI Namemonoxerutin
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC29H34O17
Net Charge0
Average Mass654.574
Monoisotopic Mass654.17960
SMILESC[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(OCCO)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C29H34O17/c1-10-19(34)22(37)24(39)28(43-10)42-9-17-20(35)23(38)25(40)29(45-17)46-27-21(36)18-15(33)7-12(41-5-4-30)8-16(18)44-26(27)11-2-3-13(31)14(32)6-11/h2-3,6-8,10,17,19-20,22-25,28-35,37-40H,4-5,9H2,1H3/t10-,17+,19-,20+,22+,23-,24+,25+,28+,29-/m0/s1
InChIKeyMBHXKZDTQCSVPM-BDAFLREQSA-N
ChEBI Ontology
Outgoing Relation(s)
monoxerutin (CHEBI:134704) is a flavonoids (CHEBI:72544)
monoxerutin (CHEBI:134704) is a glycoside (CHEBI:24400)
Manual XrefsDatabases
1835DrugCentral
Registry NumbersSources
CAS:23869-24-1DrugCentral