input word = C00056037

Metabolite InformationStructural formula
Name 4-Coumaroylshikimate
Formula C16H16O7
Mw 320.08960287
CAS RN 196496-50-1
C_ID C00056037
InChIKey HLTJQPFRKIIQGY-PDXJTRCTSA-N
InChICode InChI=1S/C16H16O7/c17-11-4-1-9(2-5-11)3-6-14(20)23-15-12(18)7-10(16(21)22)8-13(15)19/h1-7,12-13,15,17-19H,8H2,(H,21,22)/b6-3+/t12-,13-,15-/m1/s1
SMILES O=C(/C=C/c1ccc(O)cc1)O[C@@H]1[C@H](O)C=C(C(=O)O)C[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeMedicago truncatula Ref.
PlantaePoaceaePanicum virgatum Ref.
PlantaeSalicaceaePopulus deltoides Ref.
PlantaeSalicaceaePopulus trichocarpa Ref.
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OrganismPopulus deltoides
ReferenceHa, C. M. et al., Plant J., 86, (2016), 363-375.