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CHEBI:144184 - Acetyllobodirin

ChEBI IDCHEBI:144184
ChEBI NameAcetyllobodirin
Stars
Submittermwilliams
DownloadsMolfile
FormulaC25H28O13
Net Charge0
Average Mass536.486
Monoisotopic Mass536.15299
SMILESCC(=O)OC[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(C)oc3c2C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C25H28O13/c1-10-7-16(30)20-17(31)8-18(11(2)21(20)33-10)37-25-24(36-15(6)29)23(35-14(5)28)22(34-13(4)27)19(38-25)9-32-12(3)26/h7-8,19,22-25,31H,9H2,1-6H3/t19-,22-,23+,24-,25-/m1/s1
InChIKeyNWASWCGVBSEDJX-HYOIWIKGSA-N
ChEBI Ontology
Outgoing Relation(s)
Acetyllobodirin (CHEBI:144184) is a glycoside (CHEBI:24400)