CHEBI:81479 - N1,N5,N10-Triferuloyl spermidine

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ChEBI Name N1,N5,N10-Triferuloyl spermidine
ChEBI ID CHEBI:81479
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C37H43N3O9
Net Charge 0
Average Mass 673.75200
Monoisotopic Mass 673.29993
InChI InChI=1S/C37H43N3O9/c1-47-32-23-26(7-13-29(32)41)10-16-35(44)38-19-4-5-21-40(37(46)18-12-28-9-15-31(43)34(25-28)49-3)22-6-20-39-36(45)17-11-27-8-14-30(42)33(24-27)48-2/h7-18,23-25,41-43H,4-6,19-22H2,1-3H3,(H,38,44)(H,39,45)/b16-10+,17-11+,18-12+
InChIKey KMJWIBDYGUTEFB-WLJYFSRTSA-N
SMILES COc1cc(\C=C\C(=O)NCCCCN(CCCNC(=O)\C=C\c2ccc(O)c(OC)c2)C(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing N1,N5,N10-Triferuloyl spermidine (CHEBI:81479) is a hydroxycinnamic acid (CHEBI:24689)
Manual Xref Database
C18071 KEGG COMPOUND
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