input word = C00017370

Metabolite InformationStructural formula
Name Albopetasin
Albopetasine
Formula C20H28O3
Mw 316.20384476
CAS RN 6040-10-4
C_ID C00017370 ,
InChIKey IDKJGEXZZAIZPB-XLFLJZMVNA-N
InChICode InChI=1S/C20H28O3/c1-6-12(2)19(21)23-18-17-13(3)11-22-16(17)10-15-9-7-8-14(4)20(15,18)5/h6,11,14-15,18H,7-10H2,1-5H3/b12-6-/t14-,15+,18+,20+/m0/s1
SMILES C1C[C@@H]([C@@]2([C@H](C1)Cc1c([C@H]2OC(=O)/C(=C\C)/C)c(co1)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePetasites albus Ref.
PlantaeAsteraceaePetasites spurius Ref.
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