input word = C00021323

Metabolite InformationStructural formula
Name Marsupellone
Formula C15H22O
Mw 218.16706532
CAS RN 69624-75-5
C_ID C00021323 ,
InChIKey MIJOZYYZCMBCHF-UHFFFAOYNA-N
InChICode InChI=1S/C15H22O/c1-9-11(16)8-10-13-12(9)15(10,4)7-5-6-14(13,2)3/h10,12-13H,1,5-8H2,2-4H3/t10-,12+,13-,15+/m0/s1
SMILES C=C1C(=O)CC2C3C1C2(C)CCCC3(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAytoniaceaePlagiochasma rupestre (Forst.) Steph. Ref.
PlantaeGymnomitriaceaeMarsupella emarginata Ref.
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