input word = C00063972

Metabolite InformationStructural formula
Name Daturafoliside E
Formula C38H60O11
Mw 692.41356276
CAS RN 1621625-95-3
C_ID C00063972
InChIKey LXNJAXZBTPWASL-SOHFCAEZSA-N
InChICode InChI=1S/C38H60O11/c1-6-7-12-46-28-15-21-14-22(47-36-34(44)33(43)32(42)29(18-40)49-36)16-30(41)38(21,5)26-10-11-37(4)24(8-9-25(37)31(26)28)20(3)27-13-19(2)23(17-39)35(45)48-27/h15,20,22,24-34,36,39-44H,6-14,16-18H2,1-5H3/t20-,22+,24+,25-,26-,27+,28-,29+,30-,31-,32+,33-,34+,36+,37+,38-/m0/s1
SMILES CCCCOC1C=C2CC(OC3OC(CO)C(O)C(O)C3O)CC(O)C2(C)C2CCC3(C)C(C(C)C4CC(C)=C(CO)C(=O)O4)CCC3C12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeDatura metel Ref.
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