input word = C00063969

Metabolite InformationStructural formula
Name Daturafoliside B
Formula C35H54O11
Mw 650.36661257
CAS RN 1621625-92-0
C_ID C00063969
InChIKey QGAQAXBOVALDHJ-RQQZRYFVSA-N
InChICode InChI=1S/C35H54O11/c1-16-18(14-36)10-24(45-32(16)42)17(2)21-6-7-22-28-23(8-9-34(21,22)3)35(4)19(12-25(28)43-5)11-20(13-27(35)38)44-33-31(41)30(40)29(39)26(15-37)46-33/h12,17,20-31,33,36-41H,6-11,13-15H2,1-5H3/t17-,20+,21+,22-,23-,24+,25+,26+,27-,28-,29+,30-,31+,33+,34+,35-/m0/s1
SMILES COC1C=C2CC(OC3OC(CO)C(O)C(O)C3O)CC(O)C2(C)C2CCC3(C)C(C(C)C4CC(CO)=C(C)C(=O)O4)CCC3C12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeDatura metel Ref.
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