input word = C00055706

Metabolite InformationStructural formula
Name Albene
Formula C12H18
Mw 162.14085057
CAS RN 38451-64-8
C_ID C00055706
InChIKey HKLBEHRJWPWLOB-QCNOEVLYSA-N
InChICode InChI=1S/C12H18/c1-11-6-3-7-12(11,2)10-5-4-9(11)8-10/h3,6,9-10H,4-5,7-8H2,1-2H3/t9-,10+,11+,12-/m0/s1
SMILES C[C@@]12[C@@](C=CC2)(C)[C@H]3CC[C@@H]1C3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePetasites albus Ref.
PlantaeAsteraceaePetasites hybridus Ref.
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