input word = C00048341

Metabolite InformationStructural formula
Name Caesalpinolide C
(-)-Caesalpinolide C
Formula C20H30O4
Mw 334.21440945
CAS RN 1132772-44-1
C_ID C00048341 ,
InChIKey QEMZAEJTEVBQAN-GQPYMHHONA-N
InChICode InChI=1S/C20H30O4/c1-11-12-8-15(21)17-18(2,3)6-5-7-19(17,4)14(12)10-20(23)13(11)9-16(22)24-20/h9,11-12,14-15,17,21,23H,5-8,10H2,1-4H3/t11-,12+,14+,15-,17+,19-,20-/m1/s1
SMILES C1[C@]2([C@H](C(CC1)(C)C)[C@@H](C[C@@H]1[C@@H]2C[C@@]2(C(=CC(=O)O2)[C@@H]1C)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCaesalpinia bonduc Ref.
zoom in