input word = C00003439

Metabolite InformationStructural formula
Name Ingenol
Formula C20H28O5
Mw 348.193674
CAS RN 30220-46-3
C_ID C00003439 ,
InChIKey VEBVPUXQAPLADL-ZYHKUOBGNA-N
InChICode InChI=1S/C20H28O5/c1-9-7-19-10(2)5-13-14(18(13,3)4)12(17(19)24)6-11(8-21)16(23)20(19,25)15(9)22/h6-7,10,12-16,21-23,25H,5,8H2,1-4H3/t10-,12-,13-,14-,15+,16-,19-,20-/m1/s1
SMILES [C@@]123[C@]([C@@H](C(=C[C@@H](C1=O)[C@@H]1[C@@H](C[C@H]3C)C1(C)C)CO)O)([C@H](C(=C2)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeEuphorbia esula Ref.
PlantaeEuphorbiaceaeEuphorbia seguieriana Ref.
PlantaeEuphorbiaceaeEuphorbia spp. Ref.
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OrganismEuphorbia esula
ReferenceSun, et al., Brief Handbook of Natural Active Compounds, Medicinal Science and Technology Press of China, Beijing, (1998)