input word = C00057995

Metabolite InformationStructural formula
Name 2,4-trans-Trilobacinone
Formula C37H66O7
Mw 622.48085446
CAS RN 189686-32-6
C_ID C00057995
InChIKey KGGVWMAPBXIMEM-KJZDSQOESA-N
InChICode InChI=1S/C37H66O7/c1-3-4-5-6-7-11-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-9-8-10-13-16-19-30-27-29(26-28(2)38)37(41)42-30/h29-36,39-40H,3-27H2,1-2H3/t29-,30-,31-,32-,33-,34-,35+,36-/m1/s1
SMILES CCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H]([C@H]2CC[C@H]([C@H](O)CCCCCCCCCC[C@@H]3C[C@@H](CC(C)=O)C(=O)O3)O2)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAsimina triloba Ref.
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