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3'',6''-Di-O-p-coumaroyltrifolin

MNXM114689 is deprecated and here replaced by MNXM1364828
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1364828 Image of MNXM1364828
referencechebi:192044
formulaC39H32O15
global charge0
mol weight740.67
InChIKeyNFSCOXCDAAETPI-IAGONARPSA-N
InChIInChI=1S/C39H32O15/c40-23-9-1-20(2-10-23)5-15-30(45)50-19-29-33(47)37(53-31(46)16-6-21-3-11-24(41)12-4-21)35(49)39(52-29)54-38-34(48)32-27(44)17-26(43)18-28(32)51-36(38)22-7-13-25(42)14-8-22/h1-18,29,33,35,37,39-44,47,49H,19H2/b15-5+,16-6+
SMILESO=C(/C=C/C1=CC=C(O)C=C1)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(C2=O)C(O)=CC(O)=C3)C(O)C(OC(=O)/C=C/C2=CC=C(O)C=C2)C1O
MNX internals
InChI (mnx)InChI=1/C39H32O15/c40-23-9-1-20(2-10-23)5-15-30(45)50-19-29-33(47)37(53-31(46)16-6-21-3-11-24(41)12-4-21)35(49)39(52-29)54-38-34(48)32-27(44)17-26(43)18-28(32)51-36(38)22-7-13-25(42)14-8-22/h1-18,29,33,35,37,39-44,47,49H,19H2/b15-5+,16-6+/t29?,33?,35?,37?,39? Image of MNXM1364828
SMILES (mnx)[CH:1]1=[CH:9][C:23]([OH:40])=[CH:10][CH:2]=[C:20]1/[CH:5]=[CH:15]/[C:30](=[O:45])[O:50][CH2:19][CH:29]1[CH:33]([OH:47])[CH:37]([O:53][C:31](/[CH:16]=[CH:6]/[C:21]2=[CH:4][CH:12]=[C:24]([OH:41])[CH:11]=[CH:3]2)=[O:46])[CH:35]([OH:49])[CH:39]([O:54][C:38]2=[C:36]([C:22]3=[CH:8][CH:14]=[C:25]([OH:42])[CH:13]=[CH:7]3)[O:51][C:28]3=[CH:18][C:26]([OH:43])=[CH:17][C:27]([OH:44])=[C:32]3[C:34]2=[O:48])[O:52]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:192044
chebi:192044
NFSCOXCDAAETPI-IAGONARPSA-N 		3'',6''-Di-O-p-coumaroyltrifolin
[6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,5-dihydroxy-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
hmdb:HMDB0040971
NFSCOXCDAAETPI-IAGONARPSA-N 		3'',6''-Di-O-p-coumaroyltrifolin
(6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-3,5-dihydroxy-4-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxan-2-yl)methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate
(6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-3,5-dihydroxy-4-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxan-2-yl)methyl 3-(4-hydroxyphenyl)prop-2-enoic acid
(6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy}-3,5-dihydroxy-4-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxan-2-yl)methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate

hmdb:HMDB40971 		secondary/obsolete/fantasy identifier