input word = C00044101

Metabolite InformationStructural formula
Name Asiminenin B
Formula C37H66O6
Mw 606.48593984
CAS RN 168113-65-3
C_ID C00044101 ,
InChIKey OZWNHDYKRQUFSF-BTFIFXCNNA-N
InChICode InChI=1S/C37H66O6/c1-3-4-5-6-7-8-9-10-11-15-18-21-24-33(39)35-26-27-36(43-35)34(40)25-22-19-16-13-12-14-17-20-23-32(38)29-31-28-30(2)42-37(31)41/h15,18,28,30,32-36,38-40H,3-14,16-17,19-27,29H2,1-2H3/b18-15-/t30-,32+,33+,34+,35+,36+/m0/s1
SMILES C1(=C[C@@H](OC1=O)C)C[C@@H](CCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@@H](CC/C=C\CCCCCCCCCC)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAsimina triloba Ref.
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OrganismAsimina triloba
ReferenceZafra-Polo,Phytochem.,48,(1998),1087