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CHEBI:181465 - Thermopsoside, crotonoyl

ChEBI IDCHEBI:181465
ChEBI NameThermopsoside, crotonoyl
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H26O12
Net Charge0
Average Mass530.482
Monoisotopic Mass530.14243
SMILESC/C=C/C(=O)OCC1OC(Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(OC)c4)oc3c2)C(O)C(O)C1O
InChIInChI=1S/C26H26O12/c1-3-4-21(30)35-11-20-23(31)24(32)25(33)26(38-20)36-13-8-15(28)22-16(29)10-17(37-19(22)9-13)12-5-6-14(27)18(7-12)34-2/h3-10,20,23-28,31-33H,11H2,1-2H3/b4-3+
InChIKeyOAZSPRBLFZZMMR-ONEGZZNKSA-N
ChEBI Ontology
Outgoing Relation(s)
Thermopsoside, crotonoyl (CHEBI:181465) is a flavonoids (CHEBI:72544)
Thermopsoside, crotonoyl (CHEBI:181465) is a glycoside (CHEBI:24400)
IUPAC Name 
[3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl (E)-but-2-enoate
Manual XrefsDatabases
22905582ChemSpider