input word = C00029879

Metabolite InformationStructural formula
Name Caesalpinin O
(+)-Caesalpinin O
Formula C22H28O7
Mw 404.18350325
CAS RN 853302-56-4
C_ID C00029879 ,
InChIKey XGRZBPMXGMKFOF-OOBWVMHRNA-N
InChICode InChI=1S/C22H28O7/c1-10(23)28-14-5-7-20(2,3)22(26)18(24)17-16-12(21(14,22)4)9-13-11(6-8-27-13)15(16)19(25)29-17/h6,8,12,14-18,24,26H,5,7,9H2,1-4H3/t12-,14-,15+,16+,17+,18-,21-,22+/m0/s1
SMILES CC(=O)O[C@H]1CCC(C)(C)[C@]2(O)[C@@H](O)[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 crista Ref.
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