input word = C00045217

Metabolite InformationStructural formula
Name Agallochin I
(-)-Agallochin I
Formula C19H28O3
Mw 304.20384476
CAS RN 413615-45-9
C_ID C00045217 ,
InChIKey GQIQHIKIDCFTCU-FPNPCQSZNA-N
InChICode InChI=1S/C19H28O3/c1-12-15-13(20)9-17-6-5-16(2,10-17)4-3-14(17)18(15)7-8-19(12,21)22-11-18/h5-6,12-15,20-21H,3-4,7-11H2,1-2H3/t12-,13+,14+,15-,16+,17+,18+,19+/m1/s1
SMILES C[C@@H]1[C@@H]2[C@@H](O)C[C@]34C=C[C@](C)(CC[C@@H]3[C@@]23CC[C@]1(O)OC3)C4
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeExcoecaria agallocha Ref.
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