input word = C00064185

Metabolite InformationStructural formula
Name Daturafoliside L
Formula C33H46O11
Mw 618.30401231
CAS RN 2252172-73-7
C_ID C00064185
InChIKey GGXUOZYAOVUJAQ-DLXVPGIPSA-N
InChICode InChI=1S/C33H46O11/c1-14-11-20(42-29(40)16(14)13-41-30-27(38)26(37)25(36)21(12-34)43-30)15(2)17-5-6-18-24-19(9-10-31(17,18)3)32(4)22(35)7-8-23-33(32,44-23)28(24)39/h7-8,15,17-21,23-28,30,34,36-39H,5-6,9-13H2,1-4H3/t15-,17+,18-,19-,20+,21+,23+,24-,25+,26-,27+,28-,30+,31+,32-,33-/m0/s1
SMILES CC1=C(COC2OC(CO)C(O)C(O)C2O)C(=O)OC(C(C)C2CCC3C4C(CCC23C)C2(C)C(=O)C=CC3OC32C4O)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeDatura metel Ref.
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