input word = C00064193

Metabolite InformationStructural formula
Name Daturafoliside T
Formula C34H52O11
Mw 636.3509625
CAS RN 2252172-81-7
C_ID C00064193
InChIKey ZCXSGVNBXVDSOE-PWQZIKJSSA-N
InChICode InChI=1S/C34H52O11/c1-14-8-23(44-31(42)15(14)2)16(3)19-6-7-20-27-21(12-26(38)34(19,20)5)33(4)17(10-22(27)36)9-18(11-25(33)37)43-32-30(41)29(40)28(39)24(13-35)45-32/h10,16,18-30,32,35-41H,6-9,11-13H2,1-5H3/t16-,18+,19+,20-,21-,22+,23+,24+,25-,26-,27-,28+,29-,30+,32+,33-,34+/m0/s1
SMILES CC1=C(C)C(=O)OC(C(C)C2CCC3C4C(O)C=C5CC(OC6OC(CO)C(O)C(O)C6O)CC(O)C5(C)C4CC(O)C23C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeDatura metel Ref.
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