input word = C00002733

Metabolite InformationStructural formula
Name 1,3-Dicaffeoylquinic acid
1,5-Dicaffeoylquinic acid
Formula C25H24O12
Mw 516.12677623
CAS RN 30964-13-7
C_ID C00002733 ,
InChIKey YDDUMTOHNYZQPO-OSTSEAKANA-N
InChICode InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,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]1C[C@@](OC(=O)/C=C/c2ccc(O)c(O)c2)(C(=O)O)C[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeFoeniculum vulgare Ref.
PlantaeAsteraceaeArtemisia annua Ref.
PlantaeAsteraceaeCynara cardunculus Ref.
PlantaeAsteraceaeCynara scolymus Ref.
PlantaeAsteraceaeMatricaria recutita Ref.
PlantaeFabaceaePhaseolus vulgaris Ref.
PlantaeMoraceaeMorus alba Ref.
PlantaeSolanaceaeSolanum tuberosum Ref.
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OrganismPhaseolus vulgaris
Referencehttps://doi.org/10.1080/09637486.2017.1418845