input word = C00064188

Metabolite InformationStructural formula
Name Daturafoliside O
Formula C30H44O6
Mw 500.31378914
CAS RN 2252172-76-0
C_ID C00064188
InChIKey LUYOVNMGHLGQPJ-KFOYCXETSA-N
InChICode InChI=1S/C30H44O6/c1-6-35-19-12-18-13-24(32)27-22-8-7-21(17(3)25-11-16(2)20(15-31)28(34)36-25)29(22,4)10-9-23(27)30(18,5)26(33)14-19/h13,17,19,21-25,27,31-32H,6-12,14-15H2,1-5H3/t17-,19+,21+,22-,23-,24+,25+,27-,29+,30-/m0/s1
SMILES CCOC1CC(=O)C2(C)C(=CC(O)C3C2CCC2(C)C(C(C)C4CC(C)=C(CO)C(=O)O4)CCC32)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeDatura metel Ref.
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