input word = C00009606

Metabolite InformationStructural formula
Name 6a,12-Didehydrosumatrol
6a,12a-Dehydro-alpha-toxicarol
Villosol
Formula C23H20O7
Mw 408.12090299
CAS RN 60077-62-5
C_ID C00009606 ,
InChIKey STFNGWNFASVBRR-UHFFFAOYNA-N
InChICode InChI=1S/C23H20O7/c1-10(2)14-6-12-16(29-14)7-13(24)21-22(25)20-11-5-17(26-3)18(27-4)8-15(11)28-9-19(20)30-23(12)21/h5,7-8,14,24H,1,6,9H2,2-4H3/t14-/m1/s1
SMILES C=C(C)C1Cc2c(cc(O)c3c(=O)c4c(oc23)COc2cc(OC)c(OC)cc2-4)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaprifoliaceaePatrinia villosa Ref.
PlantaeFabaceaeDerris oblonga Ref.
PlantaeFabaceaeMillettia brandisiana Ref.
PlantaeFabaceaeTephrosia toxicaria Ref.
PlantaeFabaceaeTephrosia villosa Ref.
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OrganismTephrosia toxicaria
ReferenceJang,J.Nat.Prod.,66,(2003),1166