input word = C00003083

Metabolite InformationStructural formula
Name Harpagoside
Formula C24H30O11
Mw 494.1788118
CAS RN 19210-12-9
C_ID C00003083 ,
InChIKey KVRQGMOSZKPBNS-WAFLFTLGNA-N
InChICode InChI=1S/C24H30O11/c1-23(35-16(27)8-7-13-5-3-2-4-6-13)11-15(26)24(31)9-10-32-22(20(23)24)34-21-19(30)18(29)17(28)14(12-25)33-21/h2-10,14-15,17-22,25-26,28-31H,11-12H2,1H3/b8-7+/t14-,15+,17-,18-,19-,20+,21-,22-,23-,24-/m0/s1
SMILES [C@H]1([C@@H]([C@@H]([C@@H](O[C@H]1CO)O[C@@H]1OC=C[C@]2([C@H]1[C@@](C[C@H]2O)(C)OC(=O)/C=C/c1ccccc1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeLamium spp. Ref.
PlantaePedaliaceaeHarpagophytum procumbens Ref.
PlantaeScrophulariaceaeOreosolen wattii Ref.
PlantaeScrophulariaceaeRehmannia glutinosa Ref.
PlantaeScrophulariaceaeScrophularia buergeriana Ref.
PlantaeScrophulariaceaeScrophularia dentata Ref.
PlantaeScrophulariaceaeScrophularia ningpoensis Ref.
PlantaeScrophulariaceaeScrophularia scorodonia Ref.
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