input word = C00055091

Metabolite InformationStructural formula
Name 1,4-Bis-(3,4-dihydroxycinnamoyl)quinic acid
1,4-Dicaffeoylquinic acid
Formula C25H24O12
Mw 516.12677623
CAS RN 1182-34-9
C_ID C00055091
InChIKey IYXQRCXQQWUFQV-PSEXTPKNSA-N
InChICode InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(32)36-23-19(30)11-25(24(34)35,12-20(23)31)37-22(33)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-31H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1
SMILES O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](OC(=O)/C=C/c2ccc(O)c(O)c2)(C(=O)O)C[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArtemisia herba-alba Ref.
PlantaeAsteraceaeHelichrysum italicum Ref.
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