input word = C00055412

Metabolite InformationStructural formula
Name 1,5-Dihydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-4,6-heptadien-3-one
Formula C21H22O7
Mw 386.13655306
CAS RN 112494-43-6
C_ID C00055412
InChIKey NKDVMZOMVJQUDC-ZZXKWVIFSA-N
InChICode InChI=1S/C21H22O7/c1-27-20-9-13(4-7-17(20)24)3-6-15(22)11-16(23)12-19(26)14-5-8-18(25)21(10-14)28-2/h3-10,19,24-26H,11-12H2,1-2H3/b6-3+
SMILES COc1cc(/C=C/C(=O)CC(=O)CC(O)c2ccc(O)c(OC)c2)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZingiberaceaeCurcuma longa Ref.
PlantaeZingiberaceaeCurcuma xanthorrhiza Ref.
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OrganismCurcuma longa
ReferenceUehara, S. et al., Chem. Pharm. Bull., 1987, 35, 3298-3304 (isol, uv, pmr, ms