input word = C00050839

Metabolite InformationStructural formula
Name Ingenol-3-myristinate
Formula C37H58O6
Mw 598.42333958
CAS RN 83036-74-2
C_ID C00050839
InChIKey CCMOYXDORAMAMR-UHFFFAOYNA-N
InChICode InChI=1S/C37H58O6/c1-8-9-10-11-12-13-14-15-16-17-18-19-29(38)42-32-24(2)22-36-25(3)20-28-30(34(28,4)5)27(31(36)39)21-26-23-41-35(6,7)43-33(26)37(32,36)40/h21-22,25,27-28,30,32-33,40H,8-20,23H2,1-7H3
SMILES CCCCCCCCCCCCCC(=O)OC1C(C)=CC23C(=O)C(C=C4COC(C)(C)OC4C12O)C1C(CC3C)C1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeEuphorbia wallichii Ref.
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