input word = C00037656

Metabolite InformationStructural formula
Name Plantalloside
(-)-Plantalloside
Formula C29H36O16
Mw 640.20033511
CAS RN 207984-32-5
C_ID C00037656 ,
InChIKey CZYMILMAVUSERV-OIJNGEKDNA-N
InChICode InChI=1S/C29H36O16/c30-11-18-22(37)23(38)24(39)29(42-18)45-27-25(40)28(41-9-8-14-2-1-3-16(33)21(14)36)43-19(12-31)26(27)44-20(35)7-5-13-4-6-15(32)17(34)10-13/h1-7,10,18-19,22-34,36-40H,8-9,11-12H2/b7-5+/t18-,19-,22+,23-,24-,25-,26-,27+,28-,29+/m1/s1
SMILES [C@@H]1([C@H]([C@H]([C@@H](O[C@@H]1CO)OCCc1cccc(c1O)O)O)O[C@@H]1O[C@@H]([C@@H]([C@H]([C@H]1O)O)O)CO)OC(=O)/C=C/c1cc(c(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaePlantago myosuros Ref.
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OrganismPlantago myosuros
ReferenceRonsted,Phytochem.,55,(2000),337