input word = C00012357

Metabolite InformationStructural formula
Name Anhydroscandenolide
Formula C15H14O5
Mw 274.08412356
CAS RN 114742-71-1
C_ID C00012357 ,
InChIKey DRUYMRSAKYIRAE-ARJAWSKDNA-N
InChICode InChI=1S/C15H14O5/c1-7-12-9-5-8(14(17)18-9)3-4-11-15(2,20-11)6-10(12)19-13(7)16/h3-5,9-12H,1,6H2,2H3/b4-3-/t9-,10+,11-,12+,15+/m0/s1
SMILES C12=C[C@@H]([C@@H]3[C@@H](C[C@@]4([C@H](/C=C\1)O4)C)OC(=O)C3=C)OC2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeMikania urticifolia Ref.
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