input word = C00064186

Metabolite InformationStructural formula
Name Daturafoliside M
Formula C34H48O12
Mw 648.314577
CAS RN 2252172-74-8
C_ID C00064186
InChIKey ALSIBMCKRZTFFJ-QNSUATHGSA-N
InChICode InChI=1S/C34H48O12/c1-14-11-20(44-30(42)16(14)13-43-31-28(40)27(39)25(37)21(12-35)45-31)15(2)17-5-6-18-24-19(9-10-32(17,18)3)33(4)22(36)7-8-23-34(33,46-23)29(41)26(24)38/h7-8,15,17-21,23-29,31,35,37-41H,5-6,9-13H2,1-4H3/t15-,17+,18-,19-,20+,21+,23+,24-,25+,26-,27-,28+,29-,31+,32+,33-,34-/m0/s1
SMILES CC1=C(COC2OC(CO)C(O)C(O)C2O)C(=O)OC(C(C)C2CCC3C4C(O)C(O)C56OC5C=CC(=O)C6(C)C4CCC23C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeDatura metel Ref.
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