input word = C00020434

Metabolite InformationStructural formula
Name Andalucin
Formula C15H19ClO5
Mw 314.09210143
CAS RN 117255-08-0
C_ID C00020434 ,
InChIKey OBUQSMIGOUJNTL-COBVKVEFNA-N
InChICode InChI=1S/C15H19ClO5/c1-6-7-4-5-13(2,19)15-9(8(7)20-12(6)18)14(3,16)10(17)11(15)21-15/h7-11,17,19H,1,4-5H2,2-3H3/t7-,8-,9+,10+,11-,13+,14+,15+/m0/s1
SMILES [C@@H]1([C@@]([C@@H]2[C@@]3([C@H]1O3)[C@@](CC[C@@H]1[C@@H]2OC(=O)C1=C)(O)C)(Cl)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArtemisia lanata Ref.
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