input word = C00009986

Metabolite InformationStructural formula
Name 6-Hydroxy-6a,12a-dehydro-alpha-toxicarol
Formula C23H20O8
Mw 424.11581762
CAS RN 82799-75-5
C_ID C00009986 ,
InChIKey NVIZHSSHHRHDLE-UHFFFAOYNA-N
InChICode InChI=1S/C23H20O8/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/h5-9,22,24,26H,1-4H3/t22-/m0/s1
SMILES c12cc(c3c(c1C=CC(O2)(C)C)oc1c(c3=O)c2cc(c(cc2O[C@@H]1O)OC)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAmorpha fruticosa Ref.
PlantaeFabaceaeDerris oblonga Ref.
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OrganismDerris oblonga
ReferenceLin,Heterocycles,36,(1993),1501