input word = C00063973

Metabolite InformationStructural formula
Name Daturafoliside F
Formula C34H50O11
Mw 634.33531244
CAS RN 1621625-96-4
C_ID C00063973
InChIKey NJONCYQRNYIREF-XUCYFOSDSA-N
InChICode InChI=1S/C34H50O11/c1-15-9-24(44-31(42)19(15)14-43-32-30(41)29(40)28(39)25(13-35)45-32)16(2)20-5-6-21-27-22(7-8-33(20,21)3)34(4)17(11-23(27)37)10-18(36)12-26(34)38/h11,16,18,20-25,27-30,32,35-37,39-41H,5-10,12-14H2,1-4H3/t16-,18-,20+,21-,22-,23+,24+,25+,27-,28+,29-,30+,32+,33+,34-/m0/s1
SMILES CC1=C(COC2OC(CO)C(O)C(O)C2O)C(=O)OC(C(C)C2CCC3C4C(O)C=C5CC(O)CC(=O)C5(C)C4CCC23C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeDatura metel Ref.
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