input word = C00063669

Metabolite InformationStructural formula
Name 6''-O-beta-glucopyranosylharpagoside
Formula C30H40O16
Mw 656.23163523
CAS RN 1147125-47-0
C_ID C00063669
InChIKey UWFOZHRIYIQCSM-VVZPCSROSA-N
InChICode InChI=1S/C30H40O16/c1-29(46-18(33)8-7-14-5-3-2-4-6-14)11-17(32)30(40)9-10-41-28(25(29)30)45-27-24(39)22(37)20(35)16(44-27)13-42-26-23(38)21(36)19(34)15(12-31)43-26/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 CC1(OC(=O)C=Cc2ccccc2)CC(O)C2(O)C=COC(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)C12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeScrophulariaceaeScrophularia ningpoensis Ref.
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