input word = C00047681

Metabolite InformationStructural formula
Name 6',7'-Dihydroxybergamottin
Formula C21H24O6
Mw 372.1572885
CAS RN 145414-76-2
C_ID C00047681 ,
InChIKey IXZUPBUEKFXTSD-MDWZMJQENA-N
InChICode InChI=1S/C21H24O6/c1-13(4-6-18(22)21(2,3)24)8-10-26-20-14-5-7-19(23)27-17(14)12-16-15(20)9-11-25-16/h5,7-9,11-12,18,22,24H,4,6,10H2,1-3H3/b13-8+/t18-/m0/s1
SMILES c12c(c(c3c(c1)occ3)OC/C=C(/CC[C@@H](C(O)(C)C)O)\C)ccc(=O)o2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus amakusa Ref.
PlantaeRutaceaeCitrus aurantiifolia Ref.
PlantaeRutaceaeCitrus benihassaku Ref.
PlantaeRutaceaeCitrus haruka Ref.
PlantaeRutaceaeCitrus harumi Ref.
PlantaeRutaceaeCitrus hassaku Ref.
PlantaeRutaceaeCitrus himenotsuki Ref.
PlantaeRutaceaeCitrus hyuga-natsu Ref.
PlantaeRutaceaeCitrus iyo Ref.
PlantaeRutaceaeCitrus jabara Ref.
PlantaeRutaceaeCitrus kanpei Ref.
PlantaeRutaceaeCitrus kara Ref.
PlantaeRutaceaeCitrus kawachibankan Ref.
PlantaeRutaceaeCitrus kiyomi Ref.
PlantaeRutaceaeCitrus limetta 'Daidai' Ref.
PlantaeRutaceaeCitrus limon Ref.
PlantaeRutaceaeCitrus maxima Ref.
PlantaeRutaceaeCitrus natsudaidai Ref.
PlantaeRutaceaeCitrus paradisi Ref.
PlantaeRutaceaeCitrus reikou Ref.
PlantaeRutaceaeCitrus setoka Ref.
PlantaeRutaceaeCitrus setomi Ref.
PlantaeRutaceaeCitrus shiranuhi Ref.
PlantaeRutaceaeCitrus sinensis Ref.
PlantaeRutaceaeCitrus sudachi Ref.
PlantaeRutaceaeCitrus yuzu Ref.
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OrganismCitrus hassaku
ReferenceMasuda, M. et al., J. Clin. Pharm. Ther., 43, (2018), 15-20.