input word = C00036406

Metabolite InformationStructural formula
Name 12-epi-Bacchotricuneatin A
Formula C20H22O5
Mw 342.14672381
CAS RN 157086-19-6
C_ID C00036406 ,
InChIKey BLXXJMVVAYFKDR-FOCNIZJJNA-N
InChICode InChI=1S/C20H22O5/c1-19-9-15(12-6-8-23-10-12)25-18(22)13(19)5-7-20-11-24-17(21)14(20)3-2-4-16(19)20/h3,6,8,10,13,15-16H,2,4-5,7,9,11H2,1H3/t13-,15-,16+,19-,20+/m0/s1
SMILES C[C@]12C[C@@H](c3ccoc3)OC(=O)[C@@H]1CC[C@@]13COC(=O)C1=CCC[C@@H]32
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLaennecia sophiifolia (Kunth) G.L.Nesom Ref.
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