input word = C00000842

Metabolite InformationStructural formula
Name (+)-Bornyl acetate
Bornyl acetate
Formula C12H20O2
Mw 196.14632988
CAS RN 20347-65-3
C_ID C00000842 ,
InChIKey KGEKLUUHTZCSIP-UHFFFAOYNA-N
InChICode InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9-,10+,12+/m1/s1
SMILES C1C[C@@H]2C[C@@H]([C@]1(C2(C)C)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeDaucus carota Ref.
PlantaeLabiataeRosmarinus officinalis Ref.
PlantaeLabiataeThymus vulgaris Ref.
PlantaePinaceaeAbies alba Ref.
PlantaePinaceaeAbies sibirica Ref.
PlantaePinaceaePinus montana Ref.
PlantaePinaceaePinus sylvestris Ref.
PlantaePinaceaePseudotsuga menziesii Ref.
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana officinalis Ref.
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OrganismPinus sylvestris
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter48