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5,4'-Dihydrox-3-methoxy-6,7-methylenedioxyflavone 4'-glucuronide

PropertiesImage
MNX_IDMNXM27387 Image of MNXM27387
referencelipidmapsM:LMPK12112850
formulaC23H20O13
global charge0
mol weight504.4
InChIKeyQZRLCSNTKHSVAP-QJAHINBCSA-N
InChIInChI=1S/C23H20O13/c1-31-20-14(25)12-10(6-11-19(13(12)24)33-7-32-11)35-18(20)8-2-4-9(5-3-8)34-23-17(28)15(26)16(27)21(36-23)22(29)30/h2-6,15-17,21,23-24,26-28H,7H2,1H3,(H,29,30)/t15-,16-,17+,21-,23+/m0/s1
SMILESCOC1=C(C2=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C=C2)OC2=CC3=C(OCO3)C(O)=C2C1=O
MNX internals
InChI (mnx)InChI=1/C23H20O13/c1-31-20-14(25)12-10(6-11-19(13(12)24)33-7-32-11)35-18(20)8-2-4-9(5-3-8)34-23-17(28)15(26)16(27)21(36-23)22(29)30/h2-6,15-17,21,23-24,26-28H,7H2,1H3,(H,29,30)/t15-,16-,17+,21-,23+/m0/s1 Image of MNXM27387
SMILES (mnx)[CH3:1][O:31][C:20]1=[C:18]([C:8]2=[CH:3][CH:5]=[C:9]([O:34][C@H:23]3[C@H:17]([OH:28])[C@@H:15]([OH:26])[C@H:16]([OH:27])[C@@H:21]([C:22](=[O:29])[OH:30])[O:36]3)[CH:4]=[CH:2]2)[O:35][C:10]2=[CH:6][C:11]3=[C:19]([C:13]([OH:24])=[C:12]2[C:14]1=[O:25])[O:33][CH2:7][O:32]3
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:LMPK12112850
lipidmapsM:LMPK12112850
QZRLCSNTKHSVAP-QJAHINBCSA-N 		5,4'-Dihydrox-3-methoxy-6,7-methylenedioxyflavone 4'-glucuronide
hmdb:HMDB0301965
QZRLCSNTKHSVAP-QJAHINBCSA-N 		5,4'-Dihydrox-3-methoxy-6,7-methylenedioxyflavone 4'-glucuronide
(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-{9-hydroxy-7-methoxy-8-oxo-2H,8H-[1,3]dioxolo[4,5-g]chromen-6-yl}phenoxy)oxane-2-carboxylate
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-{9-hydroxy-7-methoxy-8-oxo-2H,8H-[1,3]dioxolo[4,5-g]chromen-6-yl}phenoxy)oxane-2-carboxylic acid
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-{9-hydroxy-7-methoxy-8-oxo-2H-[1,3]dioxolo[4,5-g]chromen-6-yl}phenoxy)oxane-2-carboxylic acid
hmdb:HMDB0038069
QZRLCSNTKHSVAP-UHFFFAOYSA-N 		Gomphrenol 3-methylether 4'-glucuronide
3,4,5-Trihydroxy-6-(4-{9-hydroxy-7-methoxy-8-oxo-2H,8H-[1,3]dioxolo[4,5-g]chromen-6-yl}phenoxy)oxane-2-carboxylate
3,4,5-trihydroxy-6-(4-{9-hydroxy-7-methoxy-8-oxo-2H,8H-[1,3]dioxolo[4,5-g]chromen-6-yl}phenoxy)oxane-2-carboxylic acid
3,4,5-trihydroxy-6-(4-{9-hydroxy-7-methoxy-8-oxo-2H-[1,3]dioxolo[4,5-g]chromen-6-yl}phenoxy)oxane-2-carboxylic acid

CHEBI:190104
chebi:190104
QZRLCSNTKHSVAP-UHFFFAOYSA-N 		Gomphrenol 3-methylether 4'-glucuronide
3,4,5-trihydroxy-6-[4-(9-hydroxy-7-methoxy-8-oxo-[1,3]dioxolo[4,5-g]chromen-6-yl)phenoxy]oxane-2-carboxylic acid

hmdb:HMDB38069 		secondary/obsolete/fantasy identifier