input word = C00055546

Metabolite InformationStructural formula
Name Alluceposide
Formula C34H36O22
Mw 796.16982284
CAS RN 1016883-43-4
C_ID C00055546
InChIKey AQEUNPHDKMJQTK-PKGQIUBPSA-N
InChICode InChI=1S/C34H36O22/c35-9-17-21(40)24(43)26(45)30(52-17)50-12-7-13(37)20-16(8-12)51-28(29(23(20)42)55-31-27(46)25(44)22(41)18(10-36)53-31)11-3-4-14-15(6-11)56-34(32(47)48,33(49)54-14)5-1-2-19(38)39/h3-4,6-8,17-18,21-22,24-27,30-31,35-37,40-41,43-46H,1-2,5,9-10H2,(H,38,39)(H,47,48)/t17-,18-,21-,22-,24+,25+,26-,27-,30-,31+,34-/m1/s1
SMILES O=C(O)CCC[C@]1(C(=O)O)Oc2cc(-c3oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)c4c(=O)c3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2OC1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium cepa Ref.
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