input word = C00045250

Metabolite InformationStructural formula
Name Calebin A
Formula C21H20O7
Mw 384.12090299
CAS RN 336784-82-8
C_ID C00045250 ,
InChIKey UYEWRTKHKAVRDI-ASVGJQBISA-N
InChICode InChI=1S/C21H20O7/c1-26-19-11-14(4-8-17(19)23)3-7-16(22)13-28-21(25)10-6-15-5-9-18(24)20(12-15)27-2/h3-12,23-24H,13H2,1-2H3/b7-3+,10-6+
SMILES c1c(c(cc(c1)/C=C/C(=O)COC(=O)/C=C/c1cc(c(cc1)O)OC)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZingiberaceaeCurcuma longa Ref.
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