input word = C00054957

Metabolite InformationStructural formula
Name 3,8-Acoranedione
Formula C15H24O2
Mw 236.17763001
CAS RN 10121-28-5
C_ID C00054957
InChIKey AGUISGUERLMHFF-PKIAMQTDSA-N
InChICode InChI=1S/C15H24O2/c1-9(2)14-12(16)7-11(4)15(14)6-5-10(3)13(17)8-15/h9-11,14H,5-8H2,1-4H3/t10-,11+,14+,15+/m1/s1
SMILES CC(C)[C@H]1C(=O)C[C@H](C)[C@@]12CC[C@@H](C)C(=O)C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcoraceaeAcorus calamus Ref.
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