input word = C00007981

Metabolite InformationStructural formula
Name Ceratiolin
Formula C17H18O5
Mw 302.11542369
CAS RN 106869-61-8
C_ID C00007981 ,
InChIKey RYOPKCVNBIKOJU-UHFFFAOYNA-N
InChICode InChI=1S/C17H18O5/c1-10-14(19)13(16(21)17(2,22)15(10)20)12(18)9-8-11-6-4-3-5-7-11/h3-7,19-20,22H,8-9H2,1-2H3/t17-/m0/s1
SMILES C1(=C(C(=C(C(=O)[C@]1(O)C)C(=O)CCc1ccccc1)O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEricaceaeCeratiola ericoides Ref.
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