input word = C00054659

Metabolite InformationStructural formula
Name Acorusdiol
Formula C15H24O3
Mw 252.17254463
CAS RN 185307-44-2
C_ID C00054659
InChIKey XMGSOQRMWQXOKH-YFCNSXCBSA-N
InChICode InChI=1S/C15H24O3/c1-8(2)10-5-6-15(4)12(17)7-11(16)9(3)13(15)14(10)18/h8,10-12,16-17H,5-7H2,1-4H3/t10-,11+,12+,15-/m0/s1
SMILES O[C@@H]1C[C@@H](O)C(C)=C2C([C@H](C(C)C)CC[C@]21C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcoraceaeAcorus calamus Ref.
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