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@@H]1(OC(=O)[C@H]2[C@](C1)([C@@H]1[C@@]3(CC2)C(=CCC1)C(=O)OC3)C)c1ccoc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLaennecia sophiifolia (Kunth) G.L.Nesom Ref.
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OrganismLaennecia sophiifolia (Kunth) G.L.Nesom
ReferenceSimirgiotis,Phytochem.,55,(2000),721