EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:186435 - Hexandraside C

ChEBI IDCHEBI:186435
ChEBI NameHexandraside C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H56O24
Net Charge0
Average Mass956.897
Monoisotopic Mass956.31615
SMILESCC(C)=CCc1c(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)ccc2c(=O)c(OC3OC(C)C(O)C(O)C3OC3OC(O)C(O)C(O)C3O)c(-c3ccc(O)cc3)oc12
InChIInChI=1S/C43H56O24/c1-14(2)4-9-18-20(60-43-38(30(54)26(50)22(13-45)62-43)65-40-32(56)27(51)25(49)21(12-44)61-40)11-10-19-24(48)36(34(63-35(18)19)16-5-7-17(46)8-6-16)64-42-37(29(53)23(47)15(3)59-42)66-41-33(57)28(52)31(55)39(58)67-41/h4-8,10-11,15,21-23,25-33,37-47,49-58H,9,12-13H2,1-3H3
InChIKeyOKXOYLXOYZRYCB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Hexandraside C (CHEBI:186435) is a flavonoids (CHEBI:72544)
Hexandraside C (CHEBI:186435) is a glycoside (CHEBI:24400)
IUPAC Name 
7-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-[4,5-dihydroxy-6-methyl-3-(3,4,5,6-tetrahydroxyoxan-2-yl)oxyoxan-2-yl]oxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one
Manual XrefsDatabases
2340521ChemSpider
Registry NumbersSources
CAS:137218-01-0ChemIDplus