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

PropertiesImage
MNX_IDMNXM2129 Image of MNXM2129
referencechebi:77989
formulaC27H23O18
global charge-3
mol weight635.463
InChIKeyPBBVWJQPAZYQDB-DBFWEQBMSA-K
InChIInChI=1S/C27H26O18/c28-9-2-1-7(3-10(9)29)13-6-12(31)15-11(30)4-8(5-14(15)42-13)41-27-23(19(35)18(34)22(44-27)25(39)40)45-26-20(36)16(32)17(33)21(43-26)24(37)38/h1-6,16-23,26-30,32-36H,(H,37,38)(H,39,40)/p-3/t16-,17-,18-,19-,20+,21-,22-,23+,26-,27+/m0/s1
SMILESO=C1C=C(C2=CC(O)=C(O)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/C27H26O18/c28-9-2-1-7(3-10(9)29)13-6-12(31)15-11(30)4-8(5-14(15)42-13)41-27-23(19(35)18(34)22(44-27)25(39)40)45-26-20(36)16(32)17(33)21(43-26)24(37)38/h1-6,16-23,26-30,32-36H,(H,37,38)(H,39,40)/t16-,17-,18-,19-,20+,21-,22-,23+,26-,27+/m0/s1 Image of MNXM2129
SMILES (mnx)[CH:1]1=[CH:2][C:9]([OH:28])=[C:10]([OH:29])[CH:3]=[C:7]1[C:13]1=[CH:6][C:12](=[O:31])[C:15]2=[C:11]([OH:30])[CH:4]=[C:8]([O:41][C@H:27]3[C@H:23]([O:45][C@H:26]4[C@H:20]([OH:36])[C@@H:16]([OH:32])[C@H:17]([OH:33])[C@@H:21]([C:24](=[O:37])[OH:38])[O:43]4)[C@@H:19]([OH:35])[C@H:18]([OH:34])[C@@H:22]([C:25](=[O:39])[OH:40])[O:44]3)[CH:5]=[C:14]2[O:42]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:77989
chebi:77989
PBBVWJQPAZYQDB-DBFWEQBMSA-K 		luteolin 7-O-[(beta-D-glucuronosyl)-(1->2)-(beta-D-glucuronide)]
2-(3,4-dihydroxyphenyl)-7-{[2-O-(beta-D-glucopyranuronosyl)-beta-D-glucopyranuronosyl]oxy}-4-oxo-4H-chromen-5-olate
luteolin 7-O-[(beta-D-glucosiduronate)-(1->2)-(beta-D-glucosiduronate)](3-)
hmdb:HMDB0060297
PBBVWJQPAZYQDB-DBFWEQBMSA-N 		Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide]
Luteolin 7-O-[b-D-glucuronosyl-(1->2)-b-D-glucuronide]
Luteolin 7-O-b-D-diglucuronide
Luteolin 7-O-beta-D-diglucuronide
Luteolin-7-O-[b-D-glucuronosyl-(1->2)-b-D-glucuronide]
Luteolin-7-O-[b-glucuronosyl-(1->2)-b-glucuronide]
Luteolin-7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide]
Luteolin-7-O-[beta-glucuronosyl-(1->2)-beta-glucuronide]

kegg.compound:C12632
keggC:C12632
PBBVWJQPAZYQDB-DBFWEQBMSA-N 		Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide]
Luteolin 7-O-beta-D-diglucuronide

seed.compound:cpd09263
seedM:cpd09263
PBBVWJQPAZYQDB-DBFWEQBMSA-L 		Luteolin 7-O-beta-D-diglucuronide
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide]
luteolin 7-O-[beta-D-glucosyluronate-(1->2)-beta-D-glucuronide]
luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide]
luteolin 7-O-beta-D-diglucuronide

lipidmaps:LMPK12110663
lipidmapsM:LMPK12110663
PBBVWJQPAZYQDB-DBFWEQBMSA-N 		Luteolin 7-glucuronosyl-(1->2)-glucuronide

CHEBI:57815
chebi:57815
PBBVWJQPAZYQDB-DBFWEQBMSA-L 		luteolin 7-O-[(beta-D-glucosiduronate)-(1->2)-(beta-D-glucosiduronate)]
2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl 2-O-beta-D-glucopyranuronosyl-beta-D-glucopyranosiduronate
luteolin 7-O-[(beta-glucosiduronate)-(1->2)-(beta-glucosiduronate)]
luteolin-7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide](2-)

metacyc.compound:LUTEOLIN-7-O-BETA-D-DIGLUCURONIDE
metacycM:LUTEOLIN-7-O-BETA-D-DIGLUCURONIDE
PBBVWJQPAZYQDB-DBFWEQBMSA-L 		luteolin 7-O-beta-D-diglucuronide
luteolin 7-O-[beta-D-glucosyluronate-(1->2)-beta-D-glucuronide]

CHEBI:60077
chebi:60077
PBBVWJQPAZYQDB-DBFWEQBMSA-N 		luteolin-7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide]
2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl 2-O-beta-D-glucopyranuronosyl-beta-D-glucopyranosiduronic acid
Luteolin 7-O-beta-D-diglucuronide
luteolin-7-O-[beta-glucuronosyl-(1->2)-beta-glucuronide]

hmdb:HMDB60297
keggC:M_C12632
seedM:M_cpd09263 		secondary/obsolete/fantasy identifier