input word = C00035174

Metabolite InformationStructural formula
Name Scrolepidoside
Formula C32H42O16
Mw 682.2472853
CAS RN 848950-85-6
C_ID C00035174 ,
InChIKey DZMZTNAKFQHZDC-HJHYSEHJNA-N
InChICode InChI=1S/C32H42O16/c1-14-29(47-22(35)7-5-15-4-6-18(41-2)20(10-15)42-3)26(38)28(40)31(44-14)45-19-11-16(12-33)23-17(19)8-9-43-30(23)48-32-27(39)25(37)24(36)21(13-34)46-32/h4-11,14,17,19,21,23-34,36-40H,12-13H2,1-3H3/b7-5+/t14-,17+,19-,21+,23+,24+,25-,26-,27+,28+,29-,30-,31-,32-/m0/s1
SMILES O1C=C[C@H]2[C@H]([C@@H]1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C(=C[C@@H]2O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)OC(=O)/C=C/c1ccc(c(c1)OC)OC)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeScrophulariaceaeScrophularia lepidota Ref.
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OrganismScrophularia lepidota
ReferenceTasdemir,Phytochem.,66,(2005),355