input word = C00048205

Metabolite InformationStructural formula
Name Tigloylseneganolide A
Formula C32H38O8
Mw 550.25666819
CAS RN 947490-80-4
C_ID C00048205 ,
InChIKey MKIZJFJIMPCOMB-GPOCAGIPNA-N
InChICode InChI=1S/C32H38O8/c1-8-17(2)29(36)40-28-20-13-19-21(32(6,26(20)35)23(30(28,3)4)15-24(33)37-7)9-11-31(5)22(19)14-25(34)39-27(31)18-10-12-38-16-18/h8,10,12-14,16,20-21,23,27-28H,9,11,15H2,1-7H3/b17-8-/t20-,21+,23+,27+,28-,31-,32-/m1/s1
SMILES [C@@H]1(C([C@@H]([C@]2([C@@H]3C(=C[C@@H]1C2=O)C1=CC(=O)O[C@H]([C@@]1(CC3)C)c1ccoc1)C)CC(=O)OC)(C)C)OC(=O)/C(=C\C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeXylocarpus granatum Ref.
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