input word = C00045216

Metabolite InformationStructural formula
Name Agallochin H
(-)-Agallochin H
Formula C20H30O3
Mw 318.21949482
CAS RN 413615-44-8
C_ID C00045216 ,
InChIKey GUFDSAGOSLFDBB-UCLDVLQQNA-N
InChICode InChI=1S/C20H30O3/c1-16(2)12-5-7-18-10-17(3,14-15(18)23-14)6-4-13(18)19(12)8-9-20(16,21)22-11-19/h12-15,21H,4-11H2,1-3H3/t12-,13-,14+,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@H]1[C@@H]4O1)C)CO2)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeExcoecaria agallocha Ref.
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