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CHEBI:185880 - Symplocoside

Default Structure
ChEBI IDCHEBI:185880
ChEBI NameSymplocoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H26O11
Net Charge0
Average Mass466.439
Monoisotopic Mass466.14751
SMILESCOc1cc([C@H]2Oc3cc(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)cc(O)c3C[C@H]2O)ccc1O
InChIInChI=1S/C22H26O11/c1-30-16-4-9(2-3-12(16)24)21-14(26)7-11-13(25)5-10(6-15(11)32-21)31-22-20(29)19(28)18(27)17(8-23)33-22/h2-6,14,17-29H,7-8H2,1H3/t14-,17?,18-,19+,20?,21-,22-/m1/s1
InChIKeyNSWUFLQDWPOETD-HZZMKQCQSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Symplocoside (CHEBI:185880) is a flavonoids (CHEBI:72544)
Symplocoside (CHEBI:185880) is a glycoside (CHEBI:24400)
IUPAC Name 
(2S,4S,5S)-2-[[(2R,3R)-3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
24842565ChemSpider
LMPK12020110LIPID MAPS