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CHEBI:185865 - Matteucinol 7-O-beta-D-apiofuranosyl(1->6)-beta-D-glucopyranoside

ChEBI IDCHEBI:185865
ChEBI NameMatteucinol 7-O-beta-D-apiofuranosyl(1->6)-beta-D-glucopyranoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H36O14
Net Charge0
Average Mass608.593
Monoisotopic Mass608.21051
SMILESCOc1ccc([C@@H]2CC(=O)c3c(O)c(C)c(O[C@@H]4OC(CO[C@@H]5OCC(O)(CO)[C@@H]5O)[C@@H](O)[C@H](O)C4O)c(C)c3O2)cc1
InChIInChI=1S/C29H36O14/c1-12-20(32)19-16(31)8-17(14-4-6-15(38-3)7-5-14)41-25(19)13(2)24(12)43-27-23(35)22(34)21(33)18(42-27)9-39-28-26(36)29(37,10-30)11-40-28/h4-7,17-18,21-23,26-28,30,32-37H,8-11H2,1-3H3/t17-,18?,21+,22-,23?,26+,27-,28+,29?/m0/s1
InChIKeySBEVOVWWSQLCJK-HEKSUIBBSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Matteucinol 7-O-beta-D-apiofuranosyl(1->6)-beta-D-glucopyranoside (CHEBI:185865) is a flavonoids (CHEBI:72544)
Matteucinol 7-O-beta-D-apiofuranosyl(1->6)-beta-D-glucopyranoside (CHEBI:185865) 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-methoxyphenyl)-6,8-dimethyl-2,3-dihydrochromen-4-one
Manual XrefsDatabases
24846412ChemSpider
LMPK12140329LIPID MAPS