input word = C00042325

Metabolite InformationStructural formula
Name Caesalpin F
Formula C26H36O9
Mw 492.23593275
CAS RN 106533-45-3
C_ID C00042325 ,
InChIKey DPGQCKFUTIWGSN-BEZWMVHSNA-N
InChICode InChI=1S/C26H36O9/c1-13(27)33-20-21(34-14(2)28)23(4,5)26(31)10-8-16-18(24(26,6)22(20)35-15(3)29)12-19-17(9-11-32-19)25(16,7)30/h9,11,16,18,20-22,30-31H,8,10,12H2,1-7H3/t16-,18+,20+,21-,22+,24+,25+,26-/m1/s1
SMILES [C@H]1([C@]2([C@](C([C@@H]([C@@H]1OC(=O)C)OC(=O)C)(C)C)(CC[C@@H]1[C@@H]2Cc2c([C@@]1(C)O)cco2)O)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCaesalpinia crista Ref.
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