input word = C00064184

Metabolite InformationStructural formula
Name Daturafoliside K
Formula C34H48O11
Mw 632.31966238
CAS RN 2252172-72-6
C_ID C00064184
InChIKey BHLUIEYHYQNOPF-VGMLPTNISA-N
InChICode InChI=1S/C34H48O11/c1-15-12-23(43-32(41)20(15)14-42-33-30(40)29(39)27(37)24(13-35)44-33)17(3)21-8-9-22-26-18(10-11-34(21,22)4)16(2)19-6-5-7-25(36)45-31(19)28(26)38/h5-6,17-18,21-24,26-31,33,35,37-40H,7-14H2,1-4H3/t17-,18+,21+,22-,23+,24+,26+,27+,28-,29-,30+,31-,33+,34+/m0/s1
SMILES CC1=C(COC2OC(CO)C(O)C(O)C2O)C(=O)OC(C(C)C2CCC3C4C(CCC23C)C(C)=C2C=CCC(=O)OC2C4O)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeDatura metel Ref.
zoom in