input word = C00054737

Metabolite InformationStructural formula
Name 8-O-4/8-5-Cyclic dehydrotriferuloyltyramine
Formula C54H53N3O12
Mw 935.36292418
CAS RN 1260102-08-6
C_ID C00054737
InChIKey QTIJKCBOJOGMOP-KEZLJVOESA-N
InChICode InChI=1S/C54H53N3O12/c1-65-45-32-38(12-19-43(45)61)51-50(54(64)57-27-24-35-8-17-41(60)18-9-35)42-28-37(30-47(67-3)52(42)69-51)31-48(53(63)56-26-23-34-6-15-40(59)16-7-34)68-44-20-10-36(29-46(44)66-2)11-21-49(62)55-25-22-33-4-13-39(58)14-5-33/h4-21,28-32,50-51,58-61H,22-27H2,1-3H3,(H,55,62)(H,56,63)(H,57,64)/b21-11+,48-31-
SMILES OC1=CC=C(CCNC(C2C(C3=CC=C(O)C(OC)=C3)OC4=C2C=C(/C=C(OC5=C(OC)C=C(/C=C/C(NCCC6=CC=C(O)C=C6)=O)C=C5)/C(NCCC7=CC=C(O)C=C7)=O)C=C4OC)=O)C=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum tuberosum Ref.
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