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CHEBI:186748 - Eruberin B

ChEBI IDCHEBI:186748
ChEBI NameEruberin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H40O15
Net Charge0
Average Mass640.635
Monoisotopic Mass640.23672
SMILESCOc1ccc([C@H]2C[C@H](O)c3c(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c(C)c(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c(C)c3O2)cc1
InChIInChI=1S/C30H40O15/c1-11-26(44-29-24(38)22(36)20(34)17(9-31)42-29)12(2)28(45-30-25(39)23(37)21(35)18(10-32)43-30)19-15(33)8-16(41-27(11)19)13-4-6-14(40-3)7-5-13/h4-7,15-18,20-25,29-39H,8-10H2,1-3H3/t15-,16+,17?,18?,20+,21+,22-,23-,24?,25?,29-,30-/m0/s1
InChIKeyWZHCAAJIMBUYAS-OLTMIKEFSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Eruberin B (CHEBI:186748) is a flavonoids (CHEBI:72544)
Eruberin B (CHEBI:186748) is a glycoside (CHEBI:24400)
IUPAC Name 
(2S,4S,5S)-2-[[(2R,4S)-4-hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-5-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-chromen-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
LMPK12020168LIPID MAPS
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