input word = C00035966

Metabolite InformationStructural formula
Name 6'-O-E-Feruloylmonotropein
Formula C26H30O14
Mw 566.16355567
CAS RN 836674-92-1
C_ID C00035966 ,
InChIKey KAKMKHUXDFAONC-MLAZRMKZNA-N
InChICode InChI=1S/C26H30O14/c1-36-16-8-12(2-4-15(16)28)3-5-18(29)37-10-17-20(30)21(31)22(32)25(39-17)40-24-19-13(6-7-26(19,35)11-27)14(9-38-24)23(33)34/h2-9,13,17,19-22,24-25,27-28,30-32,35H,10-11H2,1H3,(H,33,34)/b5-3+/t13-,17+,19+,20+,21-,22+,24-,25-,26+/m0/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1COC(=O)/C=C/c1cc(c(cc1)O)OC)O[C@@H]1OC=C([C@H]2[C@H]1[C@@](C=C2)(CO)O)C(=O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaePaederia scandens Ref.
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