input word = C00042791

Metabolite InformationStructural formula
Name Norcaesalpinin D
(+)-Norcaesalpinin D
Formula C25H32O9
Mw 476.20463262
CAS RN 854038-95-2
C_ID C00042791 ,
InChIKey SJZIFWGVHGVKAH-OCLMUSAONA-N
InChICode InChI=1S/C25H32O9/c1-12(26)32-20-21(33-13(2)27)23(4,5)25(30)9-7-15-17(24(25,6)22(20)34-14(3)28)11-18-16(19(15)29)8-10-31-18/h8,10,15,17,20-22,30H,7,9,11H2,1-6H3/t15-,17+,20+,21-,22+,24+,25-/m1/s1
SMILES CC(=O)O[C@H]1[C@@H](OC(C)=O)C(C)(C)[C@]2(O)CC[C@H]3C(=O)c4ccoc4C[C@@H]3[C@@]2(C)[C@H]1OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCaesalpinia crista Ref.
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