input word = C00033244

Metabolite InformationStructural formula
Name Neocaesalpin C
(-)-Neocaesalpin C
Formula C24H34O9
Mw 466.22028269
CAS RN 305365-73-5
C_ID C00033244 ,
InChIKey GCGCZEGAELXNPM-UYMXYHBVNA-N
InChICode InChI=1S/C24H34O9/c1-11-14-7-18(28)33-23(14,29)8-15-19(11)16(27)9-24(30)21(4,5)10-17(31-12(2)25)20(22(15,24)6)32-13(3)26/h7,11,15-17,19-20,27,29-30H,8-10H2,1-6H3/t11-,15-,16-,17-,19-,20-,22-,23+,24+/m0/s1
SMILES CC(=O)O[C@H]1CC(C)(C)[C@]2(O)C[C@H](O)[C@H]3[C@@H](C)C4=CC(=O)O[C@]4(O)C[C@@H]3[C@@]2(C)[C@H]1OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCaesalpinia bonduc Ref.
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