input word = C00037899

Metabolite InformationStructural formula
Name Tenuifoliside A
Formula C31H38O17
Mw 682.21089979
CAS RN 139726-35-5
C_ID C00037899 ,
InChIKey BBUQNXDJRVCZTI-RUDMXATFNA-N
InChICode InChI=1S/C31H38O17/c1-41-18-10-15(11-19(42-2)27(18)43-3)4-9-22(35)46-28-24(37)20(12-32)47-31(28,14-33)48-30-26(39)25(38)23(36)21(45-30)13-44-29(40)16-5-7-17(34)8-6-16/h4-11,20-21,23-26,28,30,32-34,36-39H,12-14H2,1-3H3/b9-4+/t20-,21+,23+,24+,25-,26+,28-,30+,31+/m1/s1
SMILES [C@@H]1([C@@H](O[C@H]([C@H]([C@@H]1O)O)O[C@@]1(O[C@@H]([C@@H]([C@H]1OC(=O)/C=C/c1cc(c(c(c1)OC)OC)OC)O)CO)CO)COC(=O)c1ccc(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygalaceaePolygala sibirica Ref.
PlantaePolygalaceaePolygala tenuifolia Willd. Ref.
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