input word = C00029872

Metabolite InformationStructural formula
Name Caesalpinin H
(+)-Bonducellpin D
Formula C22H28O7
Mw 404.18350325
CAS RN 197781-85-4
C_ID C00029872 ,
InChIKey WIKUZWCBCFNRHH-OOBWVMHRNA-N
InChICode InChI=1S/C22H28O7/c1-10(23)28-18-17-16-12(9-13-11(6-8-27-13)15(16)19(25)29-17)21(4)14(24)5-7-20(2,3)22(18,21)26/h6,8,12,14-18,24,26H,5,7,9H2,1-4H3/t12-,14-,15+,16+,17+,18-,21-,22+/m0/s1
SMILES C1CC([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
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCaesalpinia crista Ref.
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