input word = C00038678

Metabolite InformationStructural formula
Name Caesalmin D
(+)-Caesalmin D
Formula C26H36O9
Mw 492.23593275
CAS RN 374907-45-6
C_ID C00038678 ,
InChIKey ZMDJQZBKCANBDV-XVAZJUGONA-N
InChICode InChI=1S/C26H36O9/c1-13(27)33-19-8-10-23(4,5)26(31)22(35-15(3)29)21(34-14(2)28)20-17(24(19,26)6)12-18-16(9-11-32-18)25(20,7)30/h9,11,17,19-22,30-31H,8,10,12H2,1-7H3/t17-,19-,20-,21+,22-,24-,25-,26+/m0/s1
SMILES c12c([C@]([C@H]3[C@H](C1)[C@@]1([C@@]([C@H]([C@@H]3OC(=O)C)OC(=O)C)(C(CC[C@@H]1OC(=O)C)(C)C)O)C)(C)O)cco2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCaesalpinia bonduc Ref.
PlantaeFabaceaeCaesalpinia minax Ref.
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