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 COc1ccc(/C=C/C(=O)O[C@@H]2[C@@H](O)[C@@H](O)[C@H](O[C@@H]3C=C(CO)[C@H]4[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)OC=C[C@H]43)O[C@H]2C)cc1OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeScrophulariaceaeScrophularia lepidota Ref.
PlantaeScrophulariaceaeScrophularia scorodonia Ref.
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