input word = C00057823

Metabolite InformationStructural formula
Name Vulgarolide
Formula C15H20O5
Mw 280.13107375
CAS RN 120674-40-0
C_ID C00057823
InChIKey LBKCMFUBEOROEX-GGAZOKNXSA-N
InChICode InChI=1S/C15H20O5/c1-8-10-4-3-9(16)7-15(2)6-5-11(17)19-13(15)12(10)20-14(8)18/h10-13,17H,1,3-7H2,2H3/t10-,11+,12-,13+,15+/m0/s1
SMILES C=C1C(=O)O[C@@H]2[C@H]3O[C@@H](O)CC[C@]3(C)CC(=O)CC[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeTanacetum vulgare Ref.
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