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CHEBI:191758 - Buddlenoid A

ChEBI IDCHEBI:191758
ChEBI NameBuddlenoid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H26O13
Net Charge0
Average Mass594.525
Monoisotopic Mass594.13734
SMILESO=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C30H26O13/c31-16-6-1-14(2-7-16)3-10-22(34)40-13-21-24(35)26(37)28(39)30(43-21)41-18-11-19(33)23-20(12-18)42-29(27(38)25(23)36)15-4-8-17(32)9-5-15/h1-12,21,24,26,28,30-33,35,37-39H,13H2/b10-3+/t21-,24-,26+,28-,30-/m1/s1
InChIKeyGVLNXQDHAFPPFW-HESOAOHTSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
bark (BTO:0001301) MetaboLights (MTBLS4572)
seed (BTO:0001226) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Buddlenoid A (CHEBI:191758) is a flavonoids (CHEBI:72544)
Buddlenoid A (CHEBI:191758) is a glycoside (CHEBI:24400)
IUPAC Name 
[(2R,3S,4S,5R,6S)-6-[3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Manual XrefsDatabases
4474761ChemSpider