Search MNXref
 Feedback

N(1),N(5),N(10)-tris[(E)-5-hydroxyferuloyl]spermidine

MNXM7841 is deprecated and here replaced by MNXM1372239
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1372239 Image of MNXM1372239
referencechebi:232335
formulaC37H43N3O12
global charge0
mol weight721.76
InChIKeyYVLXSHWZFBDIEL-SRDSWEMOSA-N
InChIInChI=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+
SMILESCOC1=CC(/C=C/C(=O)N(CCCCNC(=O)/C=C/C2=CC(OC)=C(O)C(O)=C2)CCCNC(=O)/C=C/C2=CC(OC)=C(O)C(O)=C2)=CC(O)=C1O
MNX internals
InChI (mnx)InChI=1/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+ Image of MNXM1372239
SMILES (mnx)[CH3:1][O:50][C:29]1=[CH:20][C:23](/[CH:7]=[CH:10]/[C:32](=[N:38]/[CH2:13][CH2:4][CH2:5][CH2:15][N:40]([CH2:16][CH2:6][CH2:14]/[N:39]=[C:33](/[CH:11]=[CH:8]/[C:24]2=[CH:18][C:27]([OH:42])=[C:36]([OH:48])[C:30]([O:51][CH3:2])=[CH:21]2)[OH:45])[C:34](/[CH:12]=[CH:9]/[C:25]2=[CH:19][C:28]([OH:43])=[C:37]([OH:49])[C:31]([O:52][CH3:3])=[CH:22]2)=[O:46])[OH:44])=[CH:17][C:26]([OH:41])=[C:35]1[OH:47]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:232335
chebi:232335
YVLXSHWZFBDIEL-SRDSWEMOSA-N 		N(1),N(5),N(10)-tris[(E)-5-hydroxyferuloyl]spermidine
(2E)-3-(3,4-dihydroxy-5-methoxyphenyl)-N-(4-{[(2E)-3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoyl]amino}butyl)-N-(3-{[(2E)-3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoyl]amino}propyl)prop-2-enamide
N(1),N(5),N(10)-tri-((E)-5-hydroxyferuloyl)-spermidine

kegg.compound:C18072
keggC:C18072
YVLXSHWZFBDIEL-SRDSWEMOSA-N 		N1,N5,N10-Tri(hydroxyferuloyl) spermidine

seed.compound:cpd18054
seedM:cpd18054
YVLXSHWZFBDIEL-SRDSWEMOSA-N 		N1,N5,N10-Tri-(hydroxyferuloyl)-spermidine
N1,N5,N10-tris-(5-hydroxyferuloyl)spermidine
trihydroxyferuloyl spermidine

metacyc.compound:CPD-11667
metacycM:CPD-11667
YVLXSHWZFBDIEL-SRDSWEMOSA-N 		trihydroxyferuloyl spermidine
N1,N5,N10-tris-(5-hydroxyferuloyl)spermidine

keggC:M_C18072
seedM:M_cpd18054 		secondary/obsolete/fantasy identifier