input word = C00057569

Metabolite InformationStructural formula
Name Sandrapin D
Formula C36H44O14
Mw 700.27310612
CAS RN 815585-73-0
C_ID C00057569
InChIKey JTROEEVVYGRQMU-MSMBMIHKSA-N
InChICode InChI=1S/C36H44O14/c1-11-16(2)31(42)48-24-28(46-18(4)37)33(6,7)21(14-22(39)44-10)34(8)25(40)23-17(3)36(50-29(24)34)30(47-19(5)38)32(43)49-27(20-12-13-45-15-20)35(36,9)26(23)41/h11-13,15,21,23-24,26-30,41H,3,14H2,1-2,4-10H3/b16-11+/t21-,23-,24-,26-,27-,28-,29-,30+,34-,35-,36+/m0/s1
SMILES C=C1[C@H]2C(=O)[C@@]3(C)[C@@H](O[C@@]14[C@H](OC(C)=O)C(=O)O[C@@H](c1ccoc1)[C@]4(C)[C@H]2O)[C@@H](OC(=O)/C(C)=C/C)[C@H](OC(C)=O)C(C)(C)[C@@H]3CC(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeSandoricum koetjape Ref.
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