input word = C00031070

Metabolite InformationStructural formula
Name Poliumoside
Formula C35H46O19
Mw 770.26332929
CAS RN 94079-81-9
C_ID C00031070 ,
InChIKey YMWRMAOPKNYHMZ-VMPITWQZNA-N
InChICode InChI=1S/C35H46O19/c1-14-24(41)26(43)28(45)33(50-14)49-13-22-31(53-23(40)8-5-16-3-6-18(36)20(38)11-16)32(54-35-29(46)27(44)25(42)15(2)51-35)30(47)34(52-22)48-10-9-17-4-7-19(37)21(39)12-17/h3-8,11-12,14-15,22,24-39,41-47H,9-10,13H2,1-2H3/b8-5+/t14-,15-,22-,24+,25-,26-,27-,28+,29-,30-,31-,32-,33+,34-,35-/m0/s1
SMILES [C@H]1([C@H]([C@@H]([C@H]([C@@H](O1)CO[C@@H]1O[C@H]([C@H]([C@@H]([C@H]1O)O)O)C)OC(=O)/C=C/c1cc(c(cc1)O)O)O[C@@H]1O[C@H]([C@@H]([C@@H]([C@@H]1O)O)O)C)O)OCCc1ccc(c(c1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeBarleria lupulina Ref.
PlantaeLabiataeCallicarpa japonica Thunb.var.luxurians Rehd. Ref.
PlantaeOleaceaeJasminum nudiflorum Ref.
PlantaeOleaceaeSyringa afghanica Ref.
PlantaePlantaginaceaeErinus alpinus Ref.
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