input word = C00003491

Metabolite InformationStructural formula
Name 12-Tetradecanoylphorbol 13-acetate
Formula C36H56O8
Mw 616.39751876
CAS RN 16561-29-8
C_ID C00003491 ,
InChIKey PHEDXBVPIONUQT-QQZQVUMWNA-N
InChICode InChI=1S/C36H56O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-29(39)43-32-24(3)35(42)27(30-33(5,6)36(30,32)44-25(4)38)20-26(22-37)21-34(41)28(35)19-23(2)31(34)40/h19-20,24,27-28,30,32,37,41-42H,7-18,21-22H2,1-6H3/t24-,27-,28-,30-,32-,34-,35+,36-/m1/s1
SMILES [C@@H]12[C@](CC(=C[C@H]3[C@]1([C@@H]([C@H]([C@@]1([C@H]3C1(C)C)OC(=O)C)OC(=O)CCCCCCCCCCCCC)C)O)CO)(C(=O)C(=C2)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeCroton tiglium Ref.
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