input word = C00044358

Metabolite InformationStructural formula
Name Tonkinin C
(+)-Tonkinin C
Formula C39H68O8
Mw 664.49141915
CAS RN 182806-03-7
C_ID C00044358 ,
InChIKey BDOAVPGXBNUKRA-OMDXIEFQNA-N
InChICode InChI=1S/C39H68O8/c1-4-5-6-7-8-9-10-14-17-20-23-35(43)36-26-27-37(47-36)38(46-31(3)40)29-34(42)22-19-16-13-11-12-15-18-21-33(41)25-24-32-28-30(2)45-39(32)44/h28,30,34-38,42-43H,4-27,29H2,1-3H3/t30-,34-,35-,36+,37+,38+/m0/s1
SMILES O1[C@H](C=C(C1=O)CCC(=O)CCCCCCCCC[C@H](O)C[C@@H](OC(=O)C)[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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OrganismUraria tonkinesis
ReferenceZafra-Polo,Phytochem.,48,(1998),1087