input word = C00003425

Metabolite InformationStructural formula
Name Euphorbia factor Ti2
Formula C32H42O7
Mw 538.2930537
CAS RN 64180-96-7
C_ID C00003425 ,
InChIKey HZIPPZZEKIZPCY-ZVJIWEFKNA-N
InChICode InChI=1S/C32H42O7/c1-7-8-9-10-11-12-13-14-26(35)39-32-28(30(32,5)6)25-17-22(18-33)16-23-24(15-19(2)27(23)36)31(25,37)20(3)29(32)38-21(4)34/h9-15,17,20,23-25,28-29,33,37H,7-8,16,18H2,1-6H3/b10-9+,12-11+,14-13-/t20-,23+,24+,25-,28-,29-,31+,32-/m1/s1
SMILES CCC/C=C/C=C/C=CC(=O)O[C@@]12[C@H](OC(C)=O)[C@@H](C)[C@]3(O)[C@@H]4C=C(C)C(=O)[C@H]4CC(CO)=C[C@H]3[C@@H]1C2(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeEuphorbia tirucalli Ref.
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