input word = C00039336

Metabolite InformationStructural formula
Name Harpagoside B
(-)-Harpagoside B
Formula C25H32O11
Mw 508.19446187
CAS RN 620609-57-6
C_ID C00039336 ,
InChIKey BEHDYQAAWZWDFR-IBXSQOMPNA-N
InChICode InChI=1S/C25H32O11/c1-24(36-17(27)9-8-14-6-4-3-5-7-14)12-16(32-2)25(31)10-11-33-23(21(24)25)35-22-20(30)19(29)18(28)15(13-26)34-22/h3-11,15-16,18-23,26,28-31H,12-13H2,1-2H3/b9-8+/t15-,16-,18-,19+,20-,21+,22+,23+,24+,25+/m1/s1
SMILES [C@@H]1(O[C@@H]2OC=C[C@]3([C@@H]2[C@@](C[C@H]3OC)(C)OC(=O)/C=C/c2ccccc2)O)O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeScrophulariaceaeScrophularia deserti Ref.
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