input word = C00063334

Metabolite InformationStructural formula
Name N,N'-1,4-Butanediylbis[N-[3-[[3-(3,4-dihydroxyphenyl)-1-oxopropyl]amino]propyl]-3,4-dihydroxybenzenepropanamide]
Formula C46H58N4O12
Mw 858.40512335
CAS RN 905818-36-2
C_ID C00063334
InChIKey YKJKHTLKPVRTIQ-UHFFFAOYSA-N
InChICode InChI=1S/C46H58N4O12/c51-35-13-5-31(27-39(35)55)9-17-43(59)47-21-3-25-49(45(61)19-11-33-7-15-37(53)41(57)29-33)23-1-2-24-50(46(62)20-12-34-8-16-38(54)42(58)30-34)26-4-22-48-44(60)18-10-32-6-14-36(52)40(56)28-32/h5-8,13-16,27-30,51-58H,1-4,9-12,17-26H2,(H,47,59)(H,48,60)
SMILES O=C(CCc1ccc(O)c(O)c1)NCCCN(CCCCN(CCCNC(=O)CCc1ccc(O)c(O)c1)C(=O)CCc1ccc(O)c(O)c1)C(=O)CCc1ccc(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum tuberosum Ref.
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