input word = C00012210

Metabolite InformationStructural formula
Name Ketopelenolide A
Oxopelenolide a
Formula C15H22O3
Mw 250.15689457
CAS RN 17909-92-1
C_ID C00012210 ,
InChIKey KLZWSNKEPLKAOS-IHBLBMEMNA-N
InChICode InChI=1S/C15H22O3/c1-9-4-6-12-11(3)15(17)18-14(12)8-10(2)13(16)7-5-9/h5,10-12,14H,4,6-8H2,1-3H3/b9-5+/t10-,11+,12-,14+/m0/s1
SMILES C\1(=C/CC(=O)[C@H](C[C@@H]2[C@@H](CC1)[C@H](C(=O)O2)C)C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArtemisia absinthium Ref.
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