input word = C00035027

Metabolite InformationStructural formula
Name 6-O-alpha-D-Galactopyranosylharpagoside
(-)-6-O-alpha-D-Galactopyranosylharpagoside
Formula C30H40O16
Mw 656.23163523
CAS RN 221010-22-6
C_ID C00035027 ,
InChIKey WPZQAEXTOYWVAN-STMODJOINA-N
InChICode InChI=1S/C30H40O16/c1-29(46-18(33)8-7-14-5-3-2-4-6-14)11-17(44-26-23(38)21(36)19(34)15(12-31)42-26)30(40)9-10-41-28(25(29)30)45-27-24(39)22(37)20(35)16(13-32)43-27/h2-10,15-17,19-28,31-32,34-40H,11-13H2,1H3/b8-7+/t15-,16-,17-,19+,20-,21+,22+,23-,24-,25-,26-,27+,28+,29+,30+/m1/s1
SMILES C[C@]1(OC(=O)/C=C/c2ccccc2)C[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePedaliaceaeHarpagophytum prucumbens D.C. Ref.
PlantaeScrophulariaceaeScrophularia ningpoensis Ref.
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