Search MNXref
 Feedback

luteolin 7-O-[(beta-D-glucuronosyl)-(1->2)-(beta-D-glucuronide)] 4'-O-beta-D-glucuronide

PropertiesImage
MNX_IDMNXM3650 Image of MNXM3650
referencechebi:77825
formulaC33H30O24
global charge-4
mol weight810.579
InChIKeyAEYXZGCDWDUIKX-OFFAAIFBSA-J
InChIInChI=1S/C33H34O24/c34-9-3-7(1-2-12(9)53-31-22(43)16(37)18(39)24(54-31)28(45)46)13-6-11(36)15-10(35)4-8(5-14(15)52-13)51-33-27(21(42)20(41)26(56-33)30(49)50)57-32-23(44)17(38)19(40)25(55-32)29(47)48/h1-6,16-27,31-35,37-44H,(H,45,46)(H,47,48)(H,49,50)/p-4/t16-,17-,18-,19-,20-,21-,22+,23+,24-,25-,26-,27+,31+,32-,33+/m0/s1
SMILESO=C1C=C(C2=CC(O)=C(O[C@@H]3O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]3O)C=C2)OC2=C1C([O-])=CC(O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O)=C2
MNX internals
InChI (mnx)InChI=1/C33H34O24/c34-9-3-7(1-2-12(9)53-31-22(43)16(37)18(39)24(54-31)28(45)46)13-6-11(36)15-10(35)4-8(5-14(15)52-13)51-33-27(21(42)20(41)26(56-33)30(49)50)57-32-23(44)17(38)19(40)25(55-32)29(47)48/h1-6,16-27,31-35,37-44H,(H,45,46)(H,47,48)(H,49,50)/t16-,17-,18-,19-,20-,21-,22+,23+,24-,25-,26-,27+,31+,32-,33+/m0/s1 Image of MNXM3650
SMILES (mnx)[CH:1]1=[CH:2][C:12]([O:53][C@H:31]2[C@H:22]([OH:43])[C@@H:16]([OH:37])[C@H:18]([OH:39])[C@@H:24]([C:28](=[O:45])[OH:46])[O:54]2)=[C:9]([OH:34])[CH:3]=[C:7]1[C:13]1=[CH:6][C:11](=[O:36])[C:15]2=[C:10]([OH:35])[CH:4]=[C:8]([O:51][C@H:33]3[C@H:27]([O:57][C@H:32]4[C@H:23]([OH:44])[C@@H:17]([OH:38])[C@H:19]([OH:40])[C@@H:25]([C:29](=[O:47])[OH:48])[O:55]4)[C@@H:21]([OH:42])[C@H:20]([OH:41])[C@@H:26]([C:30](=[O:49])[OH:50])[O:56]3)[CH:5]=[C:14]2[O:52]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:77825
chebi:77825
AEYXZGCDWDUIKX-OFFAAIFBSA-J 		luteolin 7-O-[(beta-D-glucuronosyl)-(1->2)-(beta-D-glucuronide)] 4'-O-beta-D-glucuronide
7-{[2-O-(beta-D-glucopyranuronosyl)-beta-D-glucopyranuronosyl]oxy}-2-[4-(beta-D-glucopyranuronosyloxy)-3-hydroxyphenyl]-4-oxo-4H-chromen-5-olate
luteolin 7-O-[(beta-D-glucosyluronate)-(1->2)-(beta-D-glucosiduronate)] 4'-O-beta-D-glucosiduronate(4-)

seed.compound:cpd02981
seedM:cpd02981
AEYXZGCDWDUIKX-OFFAAIFBSA-K 		Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide]-4'-O-beta-D- glucuronide
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide]-4'-O-beta-D-glucuronide
luteolin 7-O-[beta-D-glucosyluronate-(1,2)-beta-D-glucosiduronate]-4'-O-beta-D-glucosiduronate
luteolin 7-O-[beta-D-glucosyluronate-(1->2)-beta-D-glucuronide]-4'-O-beta-D-glucuronide
luteolin 7-O-[beta-D-glucuronosyl-(1,2)-beta-D-glucuronide]-4'-O-beta-D-glucuronide
luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide]-4'-O-beta-D-glucuronide
luteolin triglucuronide

kegg.compound:C04900
keggC:C04900
AEYXZGCDWDUIKX-OFFAAIFBSA-N 		Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide]-4'-O-beta-D-glucuronide
hmdb:HMDB0060296
AEYXZGCDWDUIKX-OFFAAIFBSA-N 		Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide]-4'-O-beta-D-glucuronide
(2S,3S,4S,5R,6S)-6-[4-(7-{[(2S,3R,4S,5S,6S)-6-carboxy-3-{[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl]oxy}-5-hydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
(2S,3S,4S,5R,6S)-6-[4-(7-{[(2S,3R,4S,5S,6S)-6-carboxy-3-{[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl]oxy}-5-hydroxy-4-oxochromen-2-yl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
2-[4-(b-D-Glucopyranuronosyloxy)-3-hydroxyphenyl]-5-hydroxy-4-oxo-4H-chromen-7-yl 2-O-b-D-glucopyranuronosyl-b-D-glucopyranosiduronate
2-[4-(b-D-Glucopyranuronosyloxy)-3-hydroxyphenyl]-5-hydroxy-4-oxo-4H-chromen-7-yl 2-O-b-D-glucopyranuronosyl-b-D-glucopyranosiduronic acid
2-[4-(beta-D-Glucopyranuronosyloxy)-3-hydroxyphenyl]-5-hydroxy-4-oxo-4H-chromen-7-yl 2-O-beta-D-glucopyranuronosyl-beta-D-glucopyranosiduronate
2-[4-(beta-D-Glucopyranuronosyloxy)-3-hydroxyphenyl]-5-hydroxy-4-oxo-4H-chromen-7-yl 2-O-beta-D-glucopyranuronosyl-beta-D-glucopyranosiduronic acid
2-[4-(beta-D-glucopyranuronosyloxy)-3-hydroxyphenyl]-5-hydroxy-4-oxo-4H-chromen-7-yl 2-O-beta-D-glucopyranuronosyl-beta-D-glucopyranosiduronate
2-[4-(beta-D-glucopyranuronosyloxy)-3-hydroxyphenyl]-5-hydroxy-4-oxo-4H-chromen-7-yl 2-O-beta-D-glucopyranuronosyl-beta-D-glucopyranosiduronic acid
Luteolin 7-O-[b-D-glucuronosyl-(1->2)-b-D-glucuronide]-4'-O-b-D-glucuronide
b-D-Glucuronoside
beta-D-glucuronoside

vmhM:M00082
vmhmetabolite:M00082
AEYXZGCDWDUIKX-OFFAAIFBSA-N 		Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide]-4-O-beta-D- glucuronide
(2S,3S,4S,5R,6S)-6-[4-(7-{[(2S,3R,4S,5S,6S)-6-carboxy-3-{[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl]oxy}-5-hydroxy-4-oxo-4H-chromen-2-yl)-2-hyd

lipidmaps:LMPK12110685
lipidmapsM:LMPK12110685
AEYXZGCDWDUIKX-OFFAAIFBSA-N 		Luteolin 7-glucuronosyl-(1->2)-glucuronide-4'-glucuronide

CHEBI:58678
chebi:58678
AEYXZGCDWDUIKX-OFFAAIFBSA-K 		luteolin 7-O-[(beta-D-glucosyluronate)-(1->2)-(beta-D-glucosiduronate)] 4'-O-beta-D-glucosiduronate

CHEBI:37645
chebi:37645
AEYXZGCDWDUIKX-OFFAAIFBSA-N 		luteolin 7-O-[(beta-D-glucosyluronic acid)-(1->2)-(beta-D-glucosiduronic acid)] 4'-O-beta-D-glucosiduronic acid
2-[4-(beta-D-glucopyranosyloxyuronic acid)-3-hydroxyphenyl]-5-hydroxy-4-oxo-4H-chromen-7-yl (beta-D-glucopyranosyluronic acid)-(1->2)-(beta-D-glucopyranosiduronic acid)
2-[4-(beta-D-glucopyranuronosyloxy)-3-hydroxyphenyl]-5-hydroxy-4-oxo-4H-chromen-7-yl 2-O-beta-D-glucopyranuronosyl-beta-D-glucopyranosiduronic acid
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide]-4'-O-beta-D-glucuronide

metacyc.compound:LUTEOLIN-7-O-BETA-D-GLUCURONOSYL-1-2
metacycM:LUTEOLIN-7-O-BETA-D-GLUCURONOSYL-1-2
AEYXZGCDWDUIKX-OFFAAIFBSA-K 		luteolin 7-O-[beta-D-glucosyluronate-(1,2)-beta-D-glucosiduronate]-4'-O-beta-D-glucosiduronate
luteolin 7-O-[beta-D-glucosyluronate-(1->2)-beta-D-glucuronide]-4'-O-beta-D-glucuronide
luteolin triglucuronide

hmdb:HMDB60296
chebi:14539
chebi:25087
chebi:6580
keggC:M_C04900
seedM:M_cpd02981
vmhM:M_M00082 		secondary/obsolete/fantasy identifier