input word = C00052807

Metabolite InformationStructural formula
Name alpha-Thujenal
Formula C10H14O
Mw 150.10446507
CAS RN 57129-54-1
C_ID C00052807
InChIKey YZNIFKFTGCAOST-UHFFFAOYSA-N
InChICode InChI=1S/C10H14O/c1-7(2)10-4-3-8(6-11)9(10)5-10/h3,6-7,9H,4-5H2,1-2H3
SMILES CC(C)C12CC=C(C=O)C1C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeRosmarinus officinalis Ref.
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana officinalis Ref.
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