input word = C00047753

Metabolite InformationStructural formula
Name Bergamottin
Formula C21H22O4
Mw 338.15180919
CAS RN 7380-40-7
C_ID C00047753 ,
InChIKey DBMJZOMNXBSRED-OQLLNIDSSA-N
InChICode InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-16-7-8-20(22)25-19(16)13-18-17(21)10-12-23-18/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9+
SMILES CC(C)=CCC/C(C)=C/COc1c2ccoc2cc2oc(=O)ccc12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeDaucus carota Ref.
PlantaeRutaceaeCitrus amaka Ref.
PlantaeRutaceaeCitrus amakusa Ref.
PlantaeRutaceaeCitrus aurantiifolia Ref.
PlantaeRutaceaeCitrus bergamia Ref.
PlantaeRutaceaeCitrus clementina Ref.
PlantaeRutaceaeCitrus hassaku Ref.
PlantaeRutaceaeCitrus himekoharu Ref.
PlantaeRutaceaeCitrus hyuga-natsu Ref.
PlantaeRutaceaeCitrus jabara Ref.
PlantaeRutaceaeCitrus kara Ref.
PlantaeRutaceaeCitrus kawachibankan Ref.
PlantaeRutaceaeCitrus limetta 'Daidai' Ref.
PlantaeRutaceaeCitrus limon Ref.
PlantaeRutaceaeCitrus maxima Ref.
PlantaeRutaceaeCitrus natsudaidai Ref.
PlantaeRutaceaeCitrus nobilis deliciosa Ref.
PlantaeRutaceaeCitrus paradisi Ref.
PlantaeRutaceaeCitrus reikou Ref.
PlantaeRutaceaeCitrus setoka Ref.
PlantaeRutaceaeCitrus shiikuwasha Ref.
PlantaeRutaceaeCitrus spp. Ref.
PlantaeRutaceaeCitrus spp.,Daucus carota Ref.
PlantaeRutaceaeCitrus sudachi Ref.
PlantaeRutaceaeCitrus yuzu Ref.
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OrganismCitrus kawachibankan
ReferenceMasuda, M. et al., J. Clin. Pharm. Ther., 43, (2018), 15-20.