input word = C00052870

Metabolite InformationStructural formula
Name Bergamotene
Endo-bergamotene
Formula C15H24
Mw 204.18780077
CAS RN 6895-56-3
C_ID C00052870
InChIKey DGZBGCMPRYFWFF-UHFFFAOYSA-N
InChICode InChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6,13-14H,3,5,7-10H2,1-2,4H3
SMILES C=C1CCC2C(CC/C=C(C)/C)(C)C1C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeDaucus carota Ref.
PlantaeCaricaceaeCarica papaya Ref.
PlantaeLabiataeOcimum basilicum Ref.
PlantaeMalvaceaeGossypium hirsutum Ref.
PlantaePolygonaceaePolygonum minus Ref.
PlantaeRutaceaeCitrus aurantifolia Ref.
PlantaeRutaceaeCitrus bergamia Ref.
PlantaeRutaceaeCitrus medica Ref.
PlantaeSantalaceaeSantalum album Ref.
PlantaeZingiberaceaeCurcuma longa Ref.
PlantaeZingiberaceaeZingiber officinale Ref.
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OrganismCitrus aurantifolia
ReferenceKovats, E.Helv. Chim. Acta, 1963, 46, 2705-2731 (pmr, ms, struct9