input word = C00033189

Metabolite InformationStructural formula
Name Melianin B
Formula C41H58O9
Mw 694.40808345
CAS RN 57589-60-3
C_ID C00033189 ,
InChIKey LCWARTZNQSKAAQ-RJOBUVFCNA-N
InChICode InChI=1S/C41H58O9/c1-23(42)48-33-20-31-37(3,4)32(50-36(46)25-13-11-10-12-14-25)21-34(49-24(2)43)41(31,9)30-17-18-39(7)27(15-16-29(39)40(30,33)8)26-19-28(44)35(45)38(5,6)47-22-26/h10-14,16,26-28,30-35,44-45H,15,17-22H2,1-9H3/t26-,27+,28-,30+,31+,32-,33-,34+,35+,39+,40+,41-/m1/s1
SMILES C1[C@H](C([C@H]2[C@]([C@H]1OC(=O)C)([C@@H]1[C@@]([C@@H](C2)OC(=O)C)(C2=CC[C@H]([C@@]2(CC1)C)[C@H]1COC([C@H]([C@@H](C1)O)O)(C)C)C)C)(C)C)OC(=O)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeMelia azadirach Ref.
PlantaeMeliaceaeMelia azedarach Ref.
PlantaeMeliaceaeMelia volkensii Ref.
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