input word = C00053342

Metabolite InformationStructural formula
Name Ingenol mebutate
Formula C25H34O6
Mw 430.23553882
CAS RN 75567-37-2
C_ID C00053342
InChIKey VDJHFHXMUKFKET-UXMMOKKRSA-N
InChICode InChI=1S/C25H34O6/c1-7-12(2)22(29)31-21-13(3)10-24-14(4)8-17-18(23(17,5)6)16(20(24)28)9-15(11-26)19(27)25(21,24)30/h7,9-10,14,16-19,21,26-27,30H,8,11H2,1-6H3/b12-7-/t14-,16-,17-,18+,19-,21+,24+,25+/m1/s1
SMILES C/C=C(/C)C(=O)O[C@H]1C(C)=C[C@]23C(=O)[C@H](C=C(CO)[C@@H](O)[C@]12O)[C@H]1[C@@H](C[C@H]3C)C1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeEuphorbia peplus Ref.
PlantaeEuphorbiaceaeEuphorbia spp. Ref.
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