input word = C00046537

Metabolite InformationStructural formula
Name Z-Harpagoside
Formula C24H30O11
Mw 494.1788118
CAS RN 133645-36-0
C_ID C00046537 ,
InChIKey KVRQGMOSZKPBNS-YRDPIVRMNA-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+/m1/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)(OC(=O)/C=C\c1ccccc1)C)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeScrophulariaceaeScrophularia buergeriana Ref.
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