input word = C00003459

Metabolite InformationStructural formula
Name 12-O-2Z,4E-Octadienoyl-4-deoxyphorbol 13-acetate
Formula C30H40O7
Mw 512.27740363
CAS RN 70028-76-1
C_ID C00003459 ,
InChIKey ALKHEZOKTHCOBM-UYWWZJNUNA-N
InChICode InChI=1S/C30H40O7/c1-7-8-9-10-11-12-24(33)36-27-18(3)29(35)22-13-17(2)25(34)21(22)14-20(16-31)15-23(29)26-28(5,6)30(26,27)37-19(4)32/h9-13,15,18,21-23,26-27,31,35H,7-8,14,16H2,1-6H3/b10-9+,12-11-/t18-,21+,22+,23-,26-,27-,29+,30-/m1/s1
SMILES [C@H]12[C@H](CC(=C[C@H]3[C@@]1([C@@H]([C@H]([C@@]1([C@H]3C1(C)C)OC(=O)C)OC(=O)/C=C\C=C\CCC)C)O)CO)C(=O)C(=C2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeEuphorbia tirucalli Ref.
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