input word = C00063975

Metabolite InformationStructural formula
Name Daturafoliside H
Formula C38H58O11
Mw 690.3979127
CAS RN 1621625-98-6
C_ID C00063975
InChIKey YPTHDRKFFNREFA-QJULFTFISA-N
InChICode InChI=1S/C38H58O11/c1-6-7-12-46-22-14-21-15-27(40)31-25-9-8-24(37(25,4)11-10-26(31)38(21,5)30(41)16-22)20(3)28-13-19(2)23(35(45)48-28)18-47-36-34(44)33(43)32(42)29(17-39)49-36/h15,20,22,24-29,31-34,36,39-40,42-44H,6-14,16-18H2,1-5H3/t20-,22+,24+,25-,26-,27+,28+,29+,31-,32+,33-,34+,36+,37+,38-/m0/s1
SMILES CCCCOC1CC(=O)C2(C)C(=CC(O)C3C2CCC2(C)C(C(C)C4CC(C)=C(COC5OC(CO)C(O)C(O)C5O)C(=O)O4)CCC32)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeDatura metel Ref.
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