input word = C00037261

Metabolite InformationStructural formula
Name Heraclenin
Formula C16H14O5
Mw 286.08412356
CAS RN 2880-49-1
C_ID C00037261 ,
InChIKey CTJZWFCPUDPLME-LDGXTIHJNA-N
InChICode InChI=1S/C16H14O5/c1-16(2)11(21-16)8-19-15-13-10(5-6-18-13)7-9-3-4-12(17)20-14(9)15/h3-7,11H,8H2,1-2H3/t11-/m1/s1
SMILES c12c(cc3c(c1OC[C@H]1OC1(C)C)occ3)ccc(=O)o2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeAngelica ursina Maxim Ref.
PlantaeApiaceaeFerula sumbul Ref.
PlantaeApiaceaeHeracleum pinnatum Ref.
PlantaeApiaceaeOpopanax chironium Ref.
PlantaeRutaceaeAtalantia ceylanica Ref.
PlantaeRutaceaeCitrus limon Ref.
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