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CHEBI:191718 - 7-(4-Carboxy-3-hydroxy-3-methylbutanoyl)sudachitin 4'-glucoside

ChEBI IDCHEBI:191718
ChEBI Name7-(4-Carboxy-3-hydroxy-3-methylbutanoyl)sudachitin 4'-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H34O17
Net Charge0
Average Mass666.585
Monoisotopic Mass666.17960
SMILESCOc1cc(-c2cc(=O)c3c(O)c(OC)c(OC(=O)CC(C)(O)CC(=O)O)c(OC)c3o2)ccc1OC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C30H34O17/c1-30(40,9-18(33)34)10-19(35)47-28-26(42-3)22(37)20-13(32)8-15(44-25(20)27(28)43-4)12-5-6-14(16(7-12)41-2)45-29-24(39)23(38)21(36)17(11-31)46-29/h5-8,17,21,23-24,29,31,36-40H,9-11H2,1-4H3,(H,33,34)
InChIKeyFPEYXBLVSDJZDD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
seed (BTO:0001226) MetaboLights (MTBLS4572)
bark (BTO:0001301) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
7-(4-Carboxy-3-hydroxy-3-methylbutanoyl)sudachitin 4'-glucoside (CHEBI:191718) is a flavonoids (CHEBI:72544)
7-(4-Carboxy-3-hydroxy-3-methylbutanoyl)sudachitin 4'-glucoside (CHEBI:191718) is a glycoside (CHEBI:24400)
IUPAC Name 
3-hydroxy-5-[5-hydroxy-6,8-dimethoxy-2-[3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-oxochromen-7-yl]oxy-3-methyl-5-oxopentanoic acid
Manual XrefsDatabases
HMDB0037337HMDB