input word = C00019421

Metabolite InformationStructural formula
Name 6-Oxo-6a,12a-dehydro-alpha-toxicarol
Formula C23H18O8
Mw 422.10016755
CAS RN 82784-32-5
C_ID C00019421 ,
InChIKey CTZYCWHOPAEGRU-UHFFFAOYSA-N
InChICode InChI=1S/C23H18O8/c1-23(2)6-5-10-14(31-23)8-12(24)18-19(25)17-11-7-15(27-3)16(28-4)9-13(11)29-22(26)21(17)30-20(10)18/h5-9,24H,1-4H3
SMILES COc1cc2oc(=O)c3oc4c5c(cc(O)c4c(=O)c3c2cc1OC)OC(C)(C)C=C5
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeDerris oblonga Ref.
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