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CHEBI:184487 - Hexandraside E

ChEBI IDCHEBI:184487
ChEBI NameHexandraside E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H38O16
Net Charge0
Average Mass678.640
Monoisotopic Mass678.21599
SMILESCC(C)=CCc1c(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)cc(O)c2c(=O)c(O[C@@H]3OC(CO)[C@@H](O)C(O)C3O)c(-c3ccc(O)cc3)oc12
InChIInChI=1S/C32H38O16/c1-12(2)3-8-15-17(44-31-26(42)24(40)21(37)18(10-33)45-31)9-16(36)20-23(39)30(28(47-29(15)20)13-4-6-14(35)7-5-13)48-32-27(43)25(41)22(38)19(11-34)46-32/h3-7,9,18-19,21-22,24-27,31-38,40-43H,8,10-11H2,1-2H3/t18?,19?,21-,22-,24+,25?,26?,27?,31-,32+/m1/s1
InChIKeySLUGZPRLJCECEX-RFKUPWJGSA-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 E (CHEBI:184487) is a flavonoids (CHEBI:72544)
Hexandraside E (CHEBI:184487) is a glycoside (CHEBI:24400)
IUPAC Name 
5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Manual XrefsDatabases
24844459ChemSpider
LMPK12111715LIPID MAPS