input word = C00063667

Metabolite InformationStructural formula
Name 6''-O-caffeoylharpagide
Formula C24H30O13
Mw 526.16864105
CAS RN 1147125-45-8
C_ID C00063667
InChIKey ADWDQKBTUCQYJI-VDKFFYEKSA-N
InChICode InChI=1S/C24H30O13/c1-23(32)9-15(27)24(33)6-7-34-22(20(23)24)37-21-19(31)18(30)17(29)14(36-21)10-35-16(28)5-3-11-2-4-12(25)13(26)8-11/h2-8,14-15,17-22,25-27,29-33H,9-10H2,1H3/b5-3+/t14-,15-,17-,18+,19-,20-,21+,22+,23+,24-/m1/s1
SMILES CC1(O)CC(O)C2(O)C=COC(OC3OC(COC(=O)C=Cc4ccc(O)c(O)c4)C(O)C(O)C3O)C12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeScrophulariaceaeScrophularia ningpoensis Ref.
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