input word = C00007240

Metabolite InformationStructural formula
Name cis,trans-Xanthoxin
2-cis,2-trans-Xanthoxin
(-)-Xanthoxin
Formula C15H22O3
Mw 250.15689457
CAS RN 8066-07-7
C_ID C00007240 ,
InChIKey ZTALKMXOHWQNIA-PRMGJAPRNA-N
InChICode InChI=1S/C15H22O3/c1-11(6-8-16)5-7-15-13(2,3)9-12(17)10-14(15,4)18-15/h5-8,12,17H,9-10H2,1-4H3/b7-5+,11-6-/t12-,14+,15-/m0/s1
SMILES C1[C@@H](C[C@@]2([C@@](C1(C)C)(/C=C/C(=C\C=O)/C)O2)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaeRutaceaeRuta chalepensis L. Ref.
--Puraia thunbergiana Ref.
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OrganismRuta chalepensis L.
ReferenceGonzalez,An.Quim.,73,(1977),430

Reisch,Tetrahedron Lett.,(1968),4395

El-Tawari,Pharmazie,35,(1980),503