input word = C00037925

Metabolite InformationStructural formula
Name trans,trans-Xanthoxin
Formula C15H22O3
Mw 250.15689457
CAS RN 28874-44-4
C_ID C00037925 ,
InChIKey ZTALKMXOHWQNIA-AJZASUGXNA-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 CC(/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=CC=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Pueraia thunbergiana Ref.
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