input word = C00044160

Metabolite InformationStructural formula
Name Espelicin
Formula C37H66O8
Mw 638.47576908
CAS RN 197247-64-6
C_ID C00044160 ,
InChIKey ZKXOAFOXGFBQIH-ABFIPJSWNA-N
InChICode InChI=1S/C37H66O8/c1-3-4-10-15-29(38)17-13-14-19-32(41)34-23-25-36(45-34)35-24-22-33(44-35)31(40)18-12-9-7-5-6-8-11-16-30(39)21-20-28-26-27(2)43-37(28)42/h26-27,29-36,38-41H,3-25H2,1-2H3/t27-,29-,30-,31-,32-,33-,34-,35-,36-/m0/s1
SMILES CCCCC[C@H](O)CCCC[C@H](O)[C@@H]1CC[C@H](O1)[C@@H]1CC[C@H](O1)[C@@H](O)CCCCCCCCC[C@@H](CCC1=C[C@@H](OC1=O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeUraria pauciovulata Ref.
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