input word = C00057681

Metabolite InformationStructural formula
Name Senkyunolide J
Formula C12H18O4
Mw 226.12050906
CAS RN 94530-86-6
C_ID C00057681
InChIKey AXRIHSJZHOTGAE-IQJOONFLSA-N
InChICode InChI=1S/C12H18O4/c1-2-3-4-9-7-5-6-8(13)11(14)10(7)12(15)16-9/h8-9,11,13-14H,2-6H2,1H3/t8-,9+,11+/m0/s1
SMILES O=C(O[C@@H]1CCCC)C2=C1CC[C@H](O)[C@H]2O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeApium graveolens Ref.
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