input word = C00036596

Metabolite InformationStructural formula
Name 5-epi-Icetexone
Formula C20H22O5
Mw 342.14672381
CAS RN 276890-94-9
C_ID C00036596 ,
InChIKey NFLLWTNAXDSKKC-JSDHFVBWNA-N
InChICode InChI=1S/C20H22O5/c1-10(2)14-15(21)11-5-6-13-19(3)7-4-8-20(13,25-18(19)24)9-12(11)16(22)17(14)23/h5-6,10,13,23H,4,7-9H2,1-3H3/t13-,19+,20+/m1/s1
SMILES CC(C)C1=C(O)C(=O)C2=C(C=C[C@@H]3C4(C)CCC[C@@]3(C2)OC4=O)C1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia gilliesii Ref.
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