input word = C00057035

Metabolite InformationStructural formula
Name 3-Oxo-1,4,11(13)-eudesmatrien-12-oic acid
Formula C15H18O3
Mw 246.12559444
CAS RN 135594-80-8
C_ID C00057035
InChIKey FPCQVGOUFYTXFX-ABAIWWIYSA-N
InChICode InChI=1S/C15H18O3/c1-9(14(17)18)11-4-6-15(3)7-5-13(16)10(2)12(15)8-11/h5,7,11H,1,4,6,8H2,2-3H3,(H,17,18)/t11-,15+/m1/s1
SMILES O=C1C=C[C@@]2(C)C(C[C@H](C(C(O)=O)=C)CC2)=C1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArtemisia vulgaris Ref.
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