2)-glucuronide-4'-glucuronide'>
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Luteorin 7-(2''-feruloylglucuronosyl)-(1->2)-glucuronide-4'-glucuronide

PropertiesImage
MNX_IDMNXM60672 Image of MNXM60672
referencelipidmapsM:LMPK12110719
formulaC43H42O27
global charge0
mol weight990.782
InChIKeySPAFPIYZLSWKDV-DQFLPRRMSA-N
InChIInChI=1S/C43H42O27/c1-62-22-8-13(2-5-16(22)44)3-7-24(48)66-36-30(53)28(51)35(40(60)61)69-43(36)70-37-31(54)29(52)34(39(58)59)68-42(37)63-15-10-18(46)25-19(47)12-21(64-23(25)11-15)14-4-6-20(17(45)9-14)65-41-32(55)26(49)27(50)33(67-41)38(56)57/h2-12,26-37,41-46,49-55H,1H3,(H,56,57)(H,58,59)(H,60,61)/b7-3+/t26-,27-,28-,29-,30-,31-,32+,33-,34-,35-,36+,37+,41+,42+,43-/m0/s1
SMILESCOC1=CC(/C=C/C(=O)O[C@H]2[C@H](O[C@H]3[C@H](OC4=CC(O)=C5C(=O)C=C(C6=CC(O)=C(O[C@@H]7O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]7O)C=C6)OC5=C4)O[C@H](C(=O)O)[C@@H](O)[C@@H]3O)O[C@H](C(=O)O)[C@@H](O)[C@@H]2O)=CC=C1O
MNX internals
InChI (mnx)InChI=1/C43H42O27/c1-62-22-8-13(2-5-16(22)44)3-7-24(48)66-36-30(53)28(51)35(40(60)61)69-43(36)70-37-31(54)29(52)34(39(58)59)68-42(37)63-15-10-18(46)25-19(47)12-21(64-23(25)11-15)14-4-6-20(17(45)9-14)65-41-32(55)26(49)27(50)33(67-41)38(56)57/h2-12,26-37,41-46,49-55H,1H3,(H,56,57)(H,58,59)(H,60,61)/b7-3+/t26-,27-,28-,29-,30-,31-,32+,33-,34-,35-,36+,37+,41+,42+,43-/m0/s1 Image of MNXM60672
SMILES (mnx)[CH3:1][O:62][C:22]1=[C:16]([OH:44])[CH:5]=[CH:2][C:13](/[CH:3]=[CH:7]/[C:24](=[O:48])[O:66][C@@H:36]2[C@@H:30]([OH:53])[C@H:28]([OH:51])[C@@H:35]([C:40](=[O:60])[OH:61])[O:69][C@H:43]2[O:70][C@@H:37]2[C@@H:31]([OH:54])[C@H:29]([OH:52])[C@@H:34]([C:39](=[O:58])[OH:59])[O:68][C@H:42]2[O:63][C:15]2=[CH:10][C:18]([OH:46])=[C:25]3[C:19](=[O:47])[CH:12]=[C:21]([C:14]4=[CH:9][C:17]([OH:45])=[C:20]([O:65][C@H:41]5[C@H:32]([OH:55])[C@@H:26]([OH:49])[C@H:27]([OH:50])[C@@H:33]([C:38](=[O:56])[OH:57])[O:67]5)[CH:6]=[CH:4]4)[O:64][C:23]3=[CH:11]2)=[CH:8]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

lipidmaps:LMPK12110719
lipidmapsM:LMPK12110719
SPAFPIYZLSWKDV-DQFLPRRMSA-N 		Luteorin 7-(2''-feruloylglucuronosyl)-(1->2)-glucuronide-4'-glucuronide
hmdb:HMDB0038045
SPAFPIYZLSWKDV-XVNBXDOJSA-N 		Luteolin 7-[E-feruloyl-(->2)-glucuronyl-(1->2)-glucuronide] 4'-glucuronide
6-({6-carboxy-2-[(2-{4-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3-hydroxyphenyl}-5-hydroxy-4-oxo-4H-chromen-7-yl)oxy]-4,5-dihydroxyoxan-3-yl}oxy)-3,4-dihydroxy-5-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}oxane-2-carboxylic acid
6-({6-carboxy-2-[(2-{4-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3-hydroxyphenyl}-5-hydroxy-4-oxochromen-7-yl)oxy]-4,5-dihydroxyoxan-3-yl}oxy)-3,4-dihydroxy-5-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}oxane-2-carboxylic acid
6-{4-[7-({6-carboxy-3-[(6-carboxy-4,5-dihydroxy-3-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}oxan-2-yl)oxy]-4,5-dihydroxyoxan-2-yl}oxy)-5-hydroxy-4-oxo-4H-chromen-2-yl]-2-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylate

hmdb:HMDB38045 		secondary/obsolete/fantasy identifier