input word = C00006986

Metabolite InformationStructural formula
Name Pedicellin
Formula C20H22O6
Mw 358.14163844
CAS RN 518-58-1
C_ID C00006986 ,
InChIKey BHTMJPHRPUKDBL-VAWYXSNFSA-N
InChICode InChI=1S/C20H22O6/c1-22-16-15(14(21)12-11-13-9-7-6-8-10-13)17(23-2)19(25-4)20(26-5)18(16)24-3/h6-12H,1-5H3/b12-11+
SMILES c1(c(c(c(c(c1OC)OC)C(=O)/C=C/c1ccccc1)OC)OC)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeGentiana pedicellata Ref.
PlantaeGesneriaceaeDidymocarpus pedicellata Ref.
PlantaeLauraceaeLindera lucida Ref.
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OrganismGentiana pedicellata
ReferenceGhosal, et al., Planta Med, 49, (1983), 240