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.
PlantaeScrophulariaceaeScrophularia buergeriana Ref.
PlantaeScrophulariaceaeScrophularia scorodonia Ref.
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OrganismHarpagophytum procumbens
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter49