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CHEBI:169773 - Eruberin C

ChEBI IDCHEBI:169773
ChEBI NameEruberin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H42O15
Net Charge0
Average Mass654.662
Monoisotopic Mass654.25237
SMILESCOc1ccc([C@H]2C[C@H](OC)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/C31H42O15/c1-12-27(45-30-25(38)23(36)21(34)18(10-32)43-30)13(2)29(46-31-26(39)24(37)22(35)19(11-33)44-31)20-17(41-4)9-16(42-28(12)20)14-5-7-15(40-3)8-6-14/h5-8,16-19,21-26,30-39H,9-11H2,1-4H3/t16-,17+,18?,19?,21-,22-,23+,24+,25?,26?,30+,31+/m1/s1
InChIKeyMQPDBDMSPVPGHL-FFGMFJLRSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Eruberin C (CHEBI:169773) is a flavonoids (CHEBI:72544)
Eruberin C (CHEBI:169773) is a glycoside (CHEBI:24400)
IUPAC Name 
(3S,4S,6S)-2-(hydroxymethyl)-6-[[(2R,4S)-4-methoxy-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]oxane-3,4,5-triol
Manual XrefsDatabases
LMPK12020172LIPID MAPS
24842595ChemSpider