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

PropertiesImage
MNX_IDMNXM24862 Image of MNXM24862
referencelipidmapsM:LMPK12112942
formulaC23H20O14
global charge0
mol weight520.399
InChIKeyCHIQYVBCRPLTQS-QJAHINBCSA-N
InChIInChI=1S/C23H20O14/c1-32-20-14(26)12-10(5-11-19(13(12)25)34-6-33-11)35-18(20)7-2-3-9(8(24)4-7)36-23-17(29)15(27)16(28)21(37-23)22(30)31/h2-5,15-17,21,23-25,27-29H,6H2,1H3,(H,30,31)/t15-,16-,17+,21-,23+/m0/s1
SMILESCOC1=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=CC3=C(OCO3)C(O)=C2C1=O
MNX internals
InChI (mnx)InChI=1/C23H20O14/c1-32-20-14(26)12-10(5-11-19(13(12)25)34-6-33-11)35-18(20)7-2-3-9(8(24)4-7)36-23-17(29)15(27)16(28)21(37-23)22(30)31/h2-5,15-17,21,23-25,27-29H,6H2,1H3,(H,30,31)/t15-,16-,17+,21-,23+/m0/s1 Image of MNXM24862
SMILES (mnx)[CH3:1][O:32][C:20]1=[C:18]([C:7]2=[CH:4][C:8]([OH:24])=[C:9]([O:36][C@H:23]3[C@H:17]([OH:29])[C@@H:15]([OH:27])[C@H:16]([OH:28])[C@@H:21]([C:22](=[O:30])[OH:31])[O:37]3)[CH:3]=[CH:2]2)[O:35][C:10]2=[CH:5][C:11]3=[C:19]([C:13]([OH:25])=[C:12]2[C:14]1=[O:26])[O:34][CH2:6][O:33]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:LMPK12112942
lipidmapsM:LMPK12112942
CHIQYVBCRPLTQS-QJAHINBCSA-N 		5,3',4'-Trihydroxy-3-methoxy-6,7-methylenedioxyflavone 4'-glucuronide
hmdb:HMDB0037757
CHIQYVBCRPLTQS-UHFFFAOYSA-N 		3',4',5-Trihydroxy-3-methoxy-6,7-methylenedioxyflavone 4'-glucuronide
3,4,5-Trihydroxy-6-(2-hydroxy-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-(2-hydroxy-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-(2-hydroxy-4-{9-hydroxy-7-methoxy-8-oxo-2H-[1,3]dioxolo[4,5-g]chromen-6-yl}phenoxy)oxane-2-carboxylic acid

CHEBI:169267
chebi:169267
CHIQYVBCRPLTQS-UHFFFAOYSA-N 		3',4',5-Trihydroxy-3-methoxy-6,7-methylenedioxyflavone 4'-glucuronide
3,4,5-trihydroxy-6-[2-hydroxy-4-(9-hydroxy-7-methoxy-8-oxo-[1,3]dioxolo[4,5-g]chromen-6-yl)phenoxy]oxane-2-carboxylic acid
hmdb:HMDB0301868
CHIQYVBCRPLTQS-QJAHINBCSA-N 		5,3',4'-Trihydroxy-3-methoxy-6,7-methylenedioxyflavone 4'-glucuronide
(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(2-hydroxy-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-(2-hydroxy-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-(2-hydroxy-4-{9-hydroxy-7-methoxy-8-oxo-2H-[1,3]dioxolo[4,5-g]chromen-6-yl}phenoxy)oxane-2-carboxylic acid

hmdb:HMDB37757 		secondary/obsolete/fantasy identifier