N(1),N(5),N(10)-tris-(E)-caffeoyl spermidine
A N(1),N(5),N(10)-tricaffeoyl spermidine in which the three double bonds adopt trans-configuration.
Also appears inslm
Exact Synonyms
(2E)-3-(3,4-dihydroxyphenyl)-N-(4-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino}butyl)-N-(3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino}propyl)prop-2-enamide
Related Synonyms
N(1),N(5),N(10)-tris[(E)-caffeoyl]spermidine
class Information
charge
0
formula
C34H37N3O9
has_obo_namespace
chebi_ontology
inchikey
ZKNHGZHOGBDPIA-ZOWBABNGSA-N
inchi
InChI=1S/C34H37N3O9/c38-26-10-4-23(20-29(26)41)7-13-32(44)35-16-1-2-18-37(34(46)15-9-25-6-12-28(40)31(43)22-25)19-3-17-36-33(45)14-8-24-5-11-27(39)30(42)21-24/h4-15,20-22,38-43H,1-3,16-19H2,(H,35,44)(H,36,45)/b13-7+,14-8+,15-9+
in_subset
mass
631.682
monoisotopicmass
631.25298
smiles
OC1=CC=C(\C=C\C(=O)NCCCN(CCCCNC(=O)\C=C\C2=CC(O)=C(O)C=C2)C(=O)\C=C\C2=CC(O)=C(O)C=C2)C=C1O