input word = C00043332

Metabolite InformationStructural formula
Name Caesalpinin MB
(-)-Caesalpinin MB
Formula C23H32O6
Mw 404.21988875
CAS RN 817168-13-1
C_ID C00043332 ,
InChIKey YKYVQVVITOKCCL-WWDMXOAHNA-N
InChICode InChI=1S/C23H32O6/c1-13(24)29-18-7-9-21(2,3)23(26)10-6-14-16(22(18,23)4)12-17-15(8-11-28-17)19(14)20(25)27-5/h8,11,14,16,18-19,26H,6-7,9-10,12H2,1-5H3/t14-,16-,18-,19-,22-,23+/m0/s1
SMILES COC(=O)[C@@H]1c2ccoc2C[C@H]2[C@H]1CC[C@@]1(O)C(C)(C)CC[C@H](OC(C)=O)[C@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCaesalpinia crista Ref.
zoom in