input word = C00043333

Metabolite InformationStructural formula
Name Caesalpinin MC
(-)-Caesalpinin MC
Formula C24H32O6
Mw 416.21988875
CAS RN 817168-14-2
C_ID C00043333 ,
InChIKey QGJFJVCCXOJVOE-SARBHLLPNA-N
InChICode InChI=1S/C24H32O6/c1-13-16-7-9-24(27)22(4,5)20(29-14(2)25)12-21(30-15(3)26)23(24,6)18(16)11-19-17(13)8-10-28-19/h11,20-21,27H,7-10,12H2,1-6H3/t20-,21+,23+,24-/m1/s1
SMILES [C@H]1([C@]2([C@](C([C@@H](C1)OC(=O)C)(C)C)(CCc1c2cc2c(c1C)CCO2)O)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCaesalpinia crista Ref.
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OrganismCaesalpinia crista
ReferenceKalauni,J.Nat.Prod.,67,(2004),1859