input word = C00064191

Metabolite InformationStructural formula
Name Daturafoliside R
Formula C35H50O10
Mw 630.34039782
CAS RN 2252172-79-3
C_ID C00064191
InChIKey CMNQNTYTLAHWAI-XEJVSNOCSA-N
InChICode InChI=1S/C35H50O10/c1-17-12-26(44-32(41)22(17)16-43-33-31(40)30(39)29(38)27(15-36)45-33)18(2)23-8-9-24-21-7-6-19-13-20(42-5)14-28(37)35(19,4)25(21)10-11-34(23,24)3/h6-7,13,18,20-21,23-27,29-31,33,36,38-40H,8-12,14-16H2,1-5H3/t18-,20+,21-,23+,24-,25-,26+,27+,29+,30-,31+,33+,34+,35-/m0/s1
SMILES COC1C=C2C=CC3C(CCC4(C)C(C(C)C5CC(C)=C(COC6OC(CO)C(O)C(O)C6O)C(=O)O5)CCC34)C2(C)C(=O)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeDatura metel Ref.
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