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oroxylin A 7-O-beta-D-glucuronate

PropertiesImage
MNX_IDMNXM43271 Image of MNXM43271
referencechebi:61674
formulaC22H19O11
global charge-1
mol weight459.383
InChIKeyQXIPXNZUEQYPLZ-QSUZLTIMSA-M
InChIInChI=1S/C22H20O11/c1-30-19-13(32-22-18(27)16(25)17(26)20(33-22)21(28)29)8-12-14(15(19)24)10(23)7-11(31-12)9-5-3-2-4-6-9/h2-8,16-18,20,22,24-27H,1H3,(H,28,29)/p-1/t16-,17-,18+,20-,22+/m0/s1
SMILESCOC1=C(O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)C=C2OC(C3=CC=CC=C3)=CC(=O)C2=C1O
MNX internals
InChI (mnx)InChI=1/C22H20O11/c1-30-19-13(32-22-18(27)16(25)17(26)20(33-22)21(28)29)8-12-14(15(19)24)10(23)7-11(31-12)9-5-3-2-4-6-9/h2-8,16-18,20,22,24-27H,1H3,(H,28,29)/t16-,17-,18+,20-,22+/m0/s1 Image of MNXM43271
SMILES (mnx)[CH3:1][O:30][C:19]1=[C:15]([OH:24])[C:14]2=[C:12]([CH:8]=[C:13]1[O:32][C@H:22]1[C@H:18]([OH:27])[C@@H:16]([OH:25])[C@H:17]([OH:26])[C@@H:20]([C:21](=[O:28])[OH:29])[O:33]1)[O:31][C:11]([C:9]1=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]1)=[CH:7][C:10]2=[O:23]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:61674
chebi:61674
QXIPXNZUEQYPLZ-QSUZLTIMSA-M 		oroxylin A 7-O-beta-D-glucuronate
5,7-dihydroxy-6-methoxyflavone 7-O-beta-D-glucuronate
5-hydroxy-6-methoxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronate
oroxylin 7-O-beta-D-glucuronate

lipidmaps:LMPK12111086
lipidmapsM:LMPK12111086
QXIPXNZUEQYPLZ-QSUZLTIMSA-N 		Baicalein 6-methyl ether 7-glucuronide

metacyc.compound:CPD-15109
metacycM:CPD-15109
seed.compound:cpd31715
seedM:cpd31715
QXIPXNZUEQYPLZ-QSUZLTIMSA-M 		oroxylin A 7-O-beta-D-glucuronate

CHEBI:61670
chebi:61670
QXIPXNZUEQYPLZ-QSUZLTIMSA-N 		oroxylin A 7-O-beta-D-glucuronide
5,7-dihydroxy-6-methoxyflavone 7-O-beta-D-glucuronide
5-hydroxy-6-methoxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid
5-hydroxy-6-methoxy-flavone-7-yl beta-D-glucopyranosiduronic acid
oroxylin 7-O-beta-D-glucuronide

seedM:M_cpd31715 		secondary/obsolete/fantasy identifier