input word = C00007112

Metabolite InformationStructural formula
Name 3',4'-Dihydrooxepino-6'-hydroxybutein
Formula C20H18O6
Mw 354.11033831
CAS RN 104668-91-9
C_ID C00007112 ,
InChIKey JNDKJNCDJCKGNJ-QPJJXVBHSA-N
InChICode InChI=1S/C20H18O6/c1-11-2-5-13-18(26-10-11)9-17(24)19(20(13)25)15(22)7-4-12-3-6-14(21)16(23)8-12/h2-4,6-9,21,23-25H,5,10H2,1H3/b7-4+
SMILES CC1=CCc2c(cc(O)c(C(=O)/C=C/c3ccc(O)c(O)c3)c2O)OC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeWyethia agnorhiza Ref.
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