input word = C00044351

Metabolite InformationStructural formula
Name Tonkinecin
Formula C37H68O6
Mw 608.5015899
CAS RN 174819-52-4
C_ID C00044351 ,
InChIKey BJNHGCXQPCYJLU-PCJYNDHENA-N
InChICode InChI=1S/C37H68O6/c1-3-4-5-6-7-8-11-14-17-20-23-33(39)35-27-28-36(43-35)34(40)24-21-18-15-12-9-10-13-16-19-22-32(38)26-25-31-29-30(2)42-37(31)41/h29-30,32-36,38-40H,3-28H2,1-2H3/t30-,32+,33-,34-,35-,36-/m1/s1
SMILES O1[C@@H](C=C(C1=O)CC[C@@H](O)CCCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@@H](CCCCCCCCCCCC)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeUraria tonkinesis Ref.
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