input word = C00045215

Metabolite InformationStructural formula
Name Agallochin G
(-)-Agallochin G
Formula C20H30O2
Mw 302.2245802
CAS RN 413615-43-7
C_ID C00045215 ,
InChIKey RRYTXWAMRRHHAA-GSHAMKAVNA-N
InChICode InChI=1S/C20H30O2/c1-16(2)14-5-7-18-9-8-17(3,12-18)6-4-15(18)19(14)10-11-20(16,21)22-13-19/h8-9,14-15,21H,4-7,10-13H2,1-3H3/t14-,15-,17-,18+,19+,20-/m0/s1
SMILES C1[C@]2(C([C@H]3[C@](C1)([C@@H]1[C@@]4(CC3)C[C@@](CC1)(C=C4)C)CO2)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeExcoecaria agallocha Ref.
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OrganismExcoecaria agallocha
ReferenceAnjaneyulu,J.Nat.Prod.,65,(2002),382