input word = C00022791

Metabolite InformationStructural formula
Name 1alpha,7alpha,10alphaH-Guaia-4,11(13)-dien-3-one
Formula C15H22O
Mw 218.16706532
CAS RN 120838-14-4
C_ID C00022791 ,
InChIKey CESATEXQMONATC-RZHDLSQHNA-N
InChICode InChI=1S/C15H22O/c1-9(2)12-6-5-10(3)13-8-15(16)11(4)14(13)7-12/h10,12-13H,1,5-8H2,2-4H3/t10-,12+,13-/m0/s1
SMILES C=C(C)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBaccharis boliviensis Ref.
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