input word = C00058096

Metabolite InformationStructural formula
Name N1,N5,N10,N14-Tetra-trans-p-coumaroylspermine
Formula C46H50N4O8
Mw 786.3628646
CAS RN 364048-95-3
C_ID C00058096
InChIKey KKJYIHSXTUGJLP-BRJCPHQQSA-N
InChICode InChI=1S/C46H50N4O8/c51-39-17-5-35(6-18-39)13-25-43(55)47-29-3-33-49(45(57)27-15-37-9-21-41(53)22-10-37)31-1-2-32-50(46(58)28-16-38-11-23-42(54)24-12-38)34-4-30-48-44(56)26-14-36-7-19-40(52)20-8-36/h5-28,51-54H,1-4,29-34H2,(H,47,55)(H,48,56)/b25-13+,26-14+,27-15+,28-16+
SMILES O=C(/C=C/c1ccc(O)cc1)NCCCN(CCCCN(CCCNC(=O)/C=C/c1ccc(O)cc1)C(=O)/C=C/c1ccc(O)cc1)C(=O)/C=C/c1ccc(O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeMatricaria chamomilla Ref.
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