input word = C00059794

Metabolite InformationStructural formula
Name Meliasenin S
Formula C31H52O5
Mw 504.38147477
CAS RN 1383711-85-0
C_ID C00059794
InChIKey PNEVHPUMSSFAQE-FECCMMPESA-N
InChICode InChI=1S/C31H52O5/c1-27(2)23-10-9-21-20(29(23,5)14-13-24(27)32)12-16-30(6)19(11-15-31(21,30)7)18-17-22(36-26(18)35-8)25(33)28(3,4)34/h9,18-20,22-26,32-34H,10-17H2,1-8H3/t18-,19-,20-,22+,23-,24-,25-,26+,29+,30-,31+/m0/s1
SMILES COC1OC(C(O)C(C)(C)O)CC1C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAzadirachta indica Ref.
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