input word = C00055174

Metabolite InformationStructural formula
Name 7',8'-Dihydro-7'-hydroxy-4-O-8':5':5''-triferulic acid
Formula C30H28O13
Mw 596.15299098
CAS RN 865199-30-0
C_ID C00055174
InChIKey VSELDSTVCZAGOR-XVYDYJIPSA-N
InChICode InChI=1S/C30H28O13/c1-40-21-11-15(5-8-24(31)32)4-7-20(21)43-29(30(38)39)26(35)17-13-19(28(37)23(14-17)42-3)18-10-16(6-9-25(33)34)12-22(41-2)27(18)36/h4-14,26,29,35-37H,1-3H3,(H,31,32)(H,33,34)(H,38,39)/b8-5+,9-6+
SMILES COc1cc(/C=C/C(=O)O)ccc1OC(C(=O)O)C(O)c1cc(OC)c(O)c(-c2cc(/C=C/C(=O)O)cc(OC)c2O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePoaceaeZea mays Ref.
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OrganismZea mays
ReferenceRouau, X. et al., Phytochemistry, 2003, 63, 899-903 (Triferulic acid)