input word = C00036856

Metabolite InformationStructural formula
Name Caesalmin A
Formula C22H28O8
Mw 420.17841787
CAS RN 352658-11-8
C_ID C00036856 ,
InChIKey PNGGBDIIVKKALA-WMUYAHJJNA-N
InChICode InChI=1S/C22H28O8/c1-9(23)29-18-16-15-11(7-13-10(5-6-28-13)14(15)19(26)30-16)21(4)17(25)12(24)8-20(2,3)22(18,21)27/h5-6,11-12,14-18,24-25,27H,7-8H2,1-4H3/t11-,12-,14+,15+,16+,17-,18-,21-,22+/m0/s1
SMILES [C@@H]1(CC([C@]2([C@]([C@H]1O)([C@@H]1[C@H]3[C@H]([C@@H]2OC(=O)C)OC(=O)[C@@H]3c2c(C1)occ2)C)O)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCaesalpinia minax Hence Ref.
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