input word = C00063617

Metabolite InformationStructural formula
Name Baimantuoluoline E
Formula C28H40O8
Mw 504.27231825
CAS RN 1053187-23-7
C_ID C00063617
InChIKey NNBAESIGXWIEDH-RAYSIIHCSA-N
InChICode InChI=1S/C28H40O8/c1-25-11-20(36-24(33)19(25)12-29)15(13-35-25)17-7-6-16-14-9-23(32)28(34)8-4-5-21(30)27(28,3)18(14)10-22(31)26(16,17)2/h4-5,14-20,22-23,29,31-32,34H,6-13H2,1-3H3/t14-,15-,16-,17+,18-,19+,20+,22+,23+,25+,26-,27-,28-/m0/s1
SMILES CC12CC(OC(=O)C1CO)C(C1CCC3C4CC(O)C5(O)CC=CC(=O)C5(C)C4CC(O)C13C)CO2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeDatura metel Ref.
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