input word = C00064610

Metabolite InformationStructural formula
Name Daturametelin J
Formula C34H48O11
Mw 632.31966238
CAS RN 904667-66-9
C_ID C00064610
InChIKey UJZXCVBHMSNJPA-FGAQVDCESA-N
InChICode InChI=1S/C34H48O11/c1-15-12-22(44-31(42)17(15)14-43-32-30(41)29(40)27(38)23(13-35)45-32)16(2)18-8-9-19-25-20(10-11-33(18,19)3)34(4)21(26(37)28(25)39)6-5-7-24(34)36/h5-7,16,18-20,22-23,25-30,32,35,37-41H,8-14H2,1-4H3/t16-,18+,19-,20-,22+,23+,25-,26+,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(O)C5=CC=CC(=O)C5(C)C4CCC23C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeDatura metel Ref.
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