input word = C00029878

Metabolite InformationStructural formula
Name Caesalpinin N
Formula C22H30O6
Mw 390.20423869
CAS RN 853302-55-3
C_ID C00029878 ,
InChIKey ANSREVRTPGYVNC-CYZNRQMYNA-N
InChICode InChI=1S/C22H30O6/c1-12(24)28-18-5-7-20(2,3)22(26)10-16(25)19-14(11-23)13-6-8-27-17(13)9-15(19)21(18,22)4/h6,8,11,14-16,18-19,25-26H,5,7,9-10H2,1-4H3/t14-,15+,16+,18+,19-,21+,22-/m1/s1
SMILES c12c([C@H]([C@@H]3[C@H](C1)[C@@]1([C@@](C[C@@H]3O)(C(CC[C@@H]1OC(=O)C)(C)C)O)C)C=O)cco2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCaesalpinia crista Ref.
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