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CHEBI:184781 - Miconioside B

ChEBI IDCHEBI:184781
ChEBI NameMiconioside B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H34O14
Net Charge0
Average Mass594.566
Monoisotopic Mass594.19486
SMILESCc1c(O)c2c(c(C)c1O[C@@H]1OC(CO[C@@H]3OCC(O)(CO)[C@@H]3O)[C@@H](O)[C@H](O)C1O)O[C@H](c1ccc(O)cc1)CC2=O
InChIInChI=1S/C28H34O14/c1-11-19(32)18-15(31)7-16(13-3-5-14(30)6-4-13)40-24(18)12(2)23(11)42-26-22(35)21(34)20(33)17(41-26)8-38-27-25(36)28(37,9-29)10-39-27/h3-6,16-17,20-22,25-27,29-30,32-37H,7-10H2,1-2H3/t16-,17?,20+,21-,22?,25+,26-,27+,28?/m0/s1
InChIKeyKABGCWRGCBCLOH-NTYVDSKLSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Miconioside B (CHEBI:184781) is a flavonoids (CHEBI:72544)
Miconioside B (CHEBI:184781) is a glycoside (CHEBI:24400)
IUPAC Name 
(2S)-7-[(2S,4S,5S)-6-[[(2R,3S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-2,3-dihydrochromen-4-one
Manual XrefsDatabases
24846353ChemSpider
LMPK12140234LIPID MAPS