input word = C00052747

Metabolite InformationStructural formula
Name 5-O-p-Coumaroylquinic acid
Cis-3-O-p-coumaroylquinic acid
5-p-Coumaroylquinic acid
Formula C16H18O8
Mw 338.10016755
CAS RN 32451-86-8
C_ID C00052747
InChIKey BMRSEYFENKXDIS-QHAYPTCMSA-N
InChICode InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1
SMILES OC1=CC=C(/C=C/C(O[C@@H]2C[C@@](O)(C(O)=O)C[C@@H](O)[C@@H]2O)=O)C=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEricaceaeRhododendron calophytum Ref.
PlantaeEricaceaeRhododendron catawbiense Ref.
PlantaeEricaceaeRhododendron fortunei Ref.
PlantaeEricaceaeRhododendron kaempferi Ref.
PlantaeEricaceaeRhododendron micranthum Ref.
PlantaeEricaceaeRhododendron praevernum Ref.
PlantaeEricaceaeRhododendron ungernii Ref.
PlantaeSolanaceaeNicotiana tabacum Ref.
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