input word = C00054675

Metabolite InformationStructural formula
Name Asitrilobin D
Formula C37H68O7
Mw 624.49650453
CAS RN 262352-20-5
C_ID C00054675
InChIKey IFULYTAZAAQCHW-LMLGJRICSA-N
InChICode InChI=1S/C37H68O7/c1-3-4-5-6-7-8-12-19-24-33(40)35-25-26-36(44-35)34(41)28-32(39)23-18-14-13-17-22-31(38)21-16-11-9-10-15-20-30-27-29(2)43-37(30)42/h27,29,31-36,38-41H,3-26,28H2,1-2H3/t29-,31-,32-,33+,34+,35+,36+/m0/s1
SMILES CCCCCCCCCC[C@@H](O)[C@H]1CC[C@H]([C@H](O)C[C@@H](O)CCCCCCC(O)CCCCCCCC2=C[C@H](C)OC2=O)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAsimina triloba Ref.
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