input word = C00050994

Metabolite InformationStructural formula
Name Isorupestonic acid
Formula C14H18O3
Mw 234.12559444
CAS RN 139953-21-2
C_ID C00050994
InChIKey JGHGKQDSZSYERQ-XZNCSQBPNA-N
InChICode InChI=1S/C14H18O3/c1-8-3-4-10(9(2)14(16)17)5-11-6-12(15)7-13(8)11/h6,8,10,13H,2-5,7H2,1H3,(H,16,17)/t8-,10+,13+/m0/s1
SMILES C=C(OC=O)[C@@H]1CC[C@H](C)[C@H]2CC(=O)C=C2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArtemisia rupestris Ref.
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