input word = C00064183

Metabolite InformationStructural formula
Name Daturafoliside J
Formula C40H54O14
Mw 758.35135643
CAS RN 2252172-71-5
C_ID C00064183
InChIKey OTZZGXPMLPNQEM-ORXMQOIDSA-N
InChICode InChI=1S/C40H54O14/c1-17-6-5-7-21-20-10-11-40(4)24(8-9-25(40)22(20)13-27(30(17)21)52-39-36(48)34(46)32(44)29(15-42)54-39)19(3)26-12-18(2)23(37(49)51-26)16-50-38-35(47)33(45)31(43)28(14-41)53-38/h5-7,13,19,24-26,28-29,31-36,38-39,41-48H,8-12,14-16H2,1-4H3/t19-,24+,25-,26+,28+,29+,31+,32+,33-,34-,35+,36+,38+,39+,40+/m0/s1
SMILES CC1=C(COC2OC(CO)C(O)C(O)C2O)C(=O)OC(C(C)C2CCC3c4cc(OC5OC(CO)C(O)C(O)C5O)c5c(C)cccc5c4CCC32C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeDatura metel Ref.
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