input word = C00001457

Metabolite InformationStructural formula
Name Triglochinin
Formula C14H17NO10
Mw 359.08524577
CAS RN 28876-11-1
C_ID C00001457 ,
InChIKey LABCALMTQNDOAI-ICJUDSKWNA-N
InChICode InChI=1S/C14H17NO10/c15-4-7(6(3-10(19)20)1-2-9(17)18)24-14-13(23)12(22)11(21)8(5-16)25-14/h1-2,8,11-14,16,21-23H,3,5H2,(H,17,18)(H,19,20)/b2-1-,7-6-/t8-,11+,12+,13-,14-/m1/s1
SMILES N#C/C(O[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O)=C(C=C/C(=O)O)CC(=O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Arg
Organism
Kingdom Family Species Reference
PlantaeAraceaeAlocasia macrorrhiza Ref.
PlantaeCampanulaceae/LobeliaceaeCampanula cochleariifolia Ref.
PlantaeCampanulaceae/LobeliaceaeCampanula rotundifolia Ref.
PlantaeJuncaginaceaeTriglochin maritima Ref.
PlantaeJuncaginaceaeTriglochin maritimum Ref.
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