input word = C00011703

Metabolite InformationStructural formula
Name Tanacetol B
Formula C17H28O4
Mw 296.19875938
CAS RN 86787-28-2
C_ID C00011703 ,
InChIKey WAGDOKQHNWIHJF-WTAPPGSONA-N
InChICode InChI=1S/C17H28O4/c1-11-6-7-14(17(4,5)20)10-16(19)12(2)9-15(8-11)21-13(3)18/h8,14-16,19-20H,2,6-7,9-10H2,1,3-5H3/b11-8+/t14-,15+,16+/m1/s1
SMILES C=C1C[C@@H](OC(C)=O)/C=C(C)CC[C@@H](C(C)(C)O)C[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeTanacetum vulgare Ref.
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