input word = C00043335

Metabolite InformationStructural formula
Name Caesalpinin ME
(-)-Caesalpinin ME
Formula C24H32O6
Mw 416.21988875
CAS RN 817168-17-5
C_ID C00043335 ,
InChIKey FJWOPFBTCFJPQR-QWNLIPMANA-N
InChICode InChI=1S/C24H32O6/c1-6-15-7-8-16-21-17(30-22(27)20(15)21)11-18-23(16,4)10-9-19(29-14(3)26)24(18,5)12-28-13(2)25/h6-7,16-21H,1,8-12H2,2-5H3/t16-,17-,18+,19-,20+,21-,23+,24-/m0/s1
SMILES C1[C@]2([C@H]([C@@]([C@H](C1)OC(=O)C)(COC(=O)C)C)C[C@H]1[C@@H]3[C@@H]2CC=C([C@H]3C(=O)O1)C=C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCaesalpinia crista Ref.
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