input word = C00036857

Metabolite InformationStructural formula
Name Caesalmin B
(+)-Caesalmin B
Formula C22H28O6
Mw 388.18858863
CAS RN 352658-23-2
C_ID C00036857 ,
InChIKey GXBMHMVGIRRPBD-WXWSBPJXNA-N
InChICode InChI=1S/C22H28O6/c1-11(23)27-16-5-7-20(2,3)22(25)10-15-18-13(21(16,22)4)9-14-12(6-8-26-14)17(18)19(24)28-15/h6,8,13,15-18,25H,5,7,9-10H2,1-4H3/t13-,15-,16-,17+,18-,21-,22+/m0/s1
SMILES CC(=O)O[C@H]1CCC(C)(C)[C@]2(O)C[C@@H]3OC(=O)[C@@H]4c5ccoc5C[C@@H]([C@@H]34)[C@@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCaesalpinia bonduc Ref.
PlantaeFabaceaeCaesalpinia crista Ref.
PlantaeFabaceaeCaesalpinia minax Hence Ref.
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