input word = C00064190

Metabolite InformationStructural formula
Name Daturafoliside Q
Formula C34H50O10
Mw 618.34039782
CAS RN 2252172-78-2
C_ID C00064190
InChIKey QIYBGOVAUNFLKE-LUKFAPDQSA-N
InChICode InChI=1S/C34H50O10/c1-16-11-25(43-31(41)21(16)15-42-32-30(40)29(39)28(38)26(14-35)44-32)17(2)22-7-8-23-20-6-5-18-12-19(36)13-27(37)34(18,4)24(20)9-10-33(22,23)3/h5,17,19-20,22-26,28-30,32,35-36,38-40H,6-15H2,1-4H3/t17-,19-,20-,22+,23-,24-,25+,26+,28+,29-,30+,32+,33+,34-/m0/s1
SMILES CC1=C(COC2OC(CO)C(O)C(O)C2O)C(=O)OC(C(C)C2CCC3C4CC=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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