input word = C00045214

Metabolite InformationStructural formula
Name Agallochin F
(-)-Agallochin F
Formula C20H30O3
Mw 318.21949482
CAS RN 413615-42-6
C_ID C00045214 ,
InChIKey IZKLRFJACWWWBZ-CMBDCKENNA-N
InChICode InChI=1S/C20H30O3/c1-12-8-18-9-13(12)4-5-15(18)19-6-7-20(22,23-11-19)17(2,3)16(19)14(21)10-18/h13-16,21-22H,1,4-11H2,2-3H3/t13-,14-,15-,16-,18-,19-,20-/m1/s1
SMILES C1[C@@]2(C([C@@H]3[C@@](C1)([C@H]1[C@@]4(C[C@H]3O)C[C@@H](CC1)C(=C)C4)CO2)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeExcoecaria agallocha Ref.
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