input word = C00064194

Metabolite InformationStructural formula
Name Daturafoliside U
Formula C40H62O15
Mw 782.40887131
CAS RN 2252172-82-8
C_ID C00064194
InChIKey TUIITFSFIKVKFF-AROPQGEQSA-N
InChICode InChI=1S/C40H62O15/c1-17-11-26(53-36(50)21(17)16-51-37-34(48)32(46)30(44)27(14-41)54-37)18(2)22-5-6-23-29-24(8-10-40(22,23)4)39(3)9-7-20(12-19(39)13-25(29)43)52-38-35(49)33(47)31(45)28(15-42)55-38/h13,18,20,22-35,37-38,41-49H,5-12,14-16H2,1-4H3/t18-,20-,22+,23-,24-,25+,26+,27+,28+,29-,30+,31+,32-,33-,34+,35+,37+,38+,39-,40+/m0/s1
SMILES CC1=C(COC2OC(CO)C(O)C(O)C2O)C(=O)OC(C(C)C2CCC3C4C(O)C=C5CC(OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CCC23C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeDatura metel Ref.
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