input word = C00041376

Metabolite InformationStructural formula
Name beta-Thujene
Formula C10H16
Mw 136.12520051
CAS RN 28634-89-1
C_ID C00041376 ,
InChIKey GJYKUZUTZNTBEC-UHFFFAOYNA-N
InChICode InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h4-5,7-9H,6H2,1-3H3/t8-,9-,10-/m0/s1
SMILES [C@@]12([C@H]([C@H](C=C1)C)C2)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCanellaceaePleodendron costaricense Ref.
PlantaeRutaceaeAtalantia guillauminii Ref.
PlantaeRutaceaeZanthoxylum armatum Ref.
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OrganismAtalantia guillauminii
ReferenceYang, K. et al., J. Oleo Sci., 64, (2015), 1101-1109.