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ChEBI
> Main
CHEBI:81480 - N1,N5,N10-Tri-(hydroxyferuloyl)-spermidine
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ChEBI Ontology
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ChEBI Name
N1,N5,N10-Tri-(hydroxyferuloyl)-spermidine
ChEBI ID
CHEBI:81480
Stars
This entity has been manually annotated by a third party.
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Formula
C37H43N3O12
Net Charge
0
Average Mass
721.75020
Monoisotopic Mass
721.28467
InChI
InChI=1S/C37H43N3O12/c1-
50-
29-
20-
23(17-
26(41)
35(29)
47)
7-
10-
32(44)
38-
13-
4-
5-
15-
40(34(46)
12-
9-
25-
19-
28(43)
37(49)
31(22-
25)
52-
3)
16-
6-
14-
39-
33(45)
11-
8-
24-
18-
27(42)
36(48)
30(21-
24)
51-
2/h7-
12,17-
22,41-
43,47-
49H,4-
6,13-
16H2,1-
3H3,(H,38,44)
(H,39,45)
/b10-
7+,11-
8+,12-
9+
InChIKey
YVLXSHWZFBDIEL-SRDSWEMOSA-N
SMILES
COc1cc(\C=C\C(=O)NCCCCN(CCCNC(=O)\C=C\c2cc(O)c(O)c(OC)c2)C(=O)\C=C\c2cc(O)c(O)c(OC)c2)cc(O)c1O
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
N1,N5,N10-Tri-(hydroxyferuloyl)-spermidine (
CHEBI:81480
)
is a
hydroxycinnamic acid (
CHEBI:24689
)
Manual Xref
Database
C18072
KEGG COMPOUND
View more database links