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5,4'-Dihydroxy-3,3'-dimethoxy-6,7-methylenedioxyflavone 4'-glucuronide

PropertiesImage
MNX_IDMNXM28001 Image of MNXM28001
referencelipidmapsM:LMPK12112943
formulaC24H22O14
global charge0
mol weight534.426
InChIKeySYRSHYBWNZNHHW-NKUGBYDDSA-N
InChIInChI=1S/C24H22O14/c1-32-10-5-8(3-4-9(10)37-24-18(29)16(27)17(28)22(38-24)23(30)31)19-21(33-2)15(26)13-11(36-19)6-12-20(14(13)25)35-7-34-12/h3-6,16-18,22,24-25,27-29H,7H2,1-2H3,(H,30,31)/t16-,17-,18+,22-,24+/m0/s1
SMILESCOC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C=CC(C2=C(OC)C(=O)C3=C(O)C4=C(C=C3O2)OCO4)=C1
MNX internals
InChI (mnx)InChI=1/C24H22O14/c1-32-10-5-8(3-4-9(10)37-24-18(29)16(27)17(28)22(38-24)23(30)31)19-21(33-2)15(26)13-11(36-19)6-12-20(14(13)25)35-7-34-12/h3-6,16-18,22,24-25,27-29H,7H2,1-2H3,(H,30,31)/t16-,17-,18+,22-,24+/m0/s1 Image of MNXM28001
SMILES (mnx)[CH3:1][O:32][C:10]1=[C:9]([O:37][C@H:24]2[C@H:18]([OH:29])[C@@H:16]([OH:27])[C@H:17]([OH:28])[C@@H:22]([C:23](=[O:30])[OH:31])[O:38]2)[CH:4]=[CH:3][C:8]([C:19]2=[C:21]([O:33][CH3:2])[C:15](=[O:26])[C:13]3=[C:14]([OH:25])[C:20]4=[C:12]([CH:6]=[C:11]3[O:36]2)[O:34][CH2:7][O:35]4)=[CH:5]1
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:LMPK12112943
lipidmapsM:LMPK12112943
SYRSHYBWNZNHHW-NKUGBYDDSA-N 		5,4'-Dihydroxy-3,3'-dimethoxy-6,7-methylenedioxyflavone 4'-glucuronide
hmdb:HMDB0037758
SYRSHYBWNZNHHW-UHFFFAOYSA-N 		4',5-Dihydroxy-3,3'-dimethoxy-6,7-methylenedioxyflavone 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}-2-methoxyphenoxy)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}-2-methoxyphenoxy)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}-2-methoxyphenoxy)oxane-2-carboxylic acid

CHEBI:175965
chebi:175965
SYRSHYBWNZNHHW-UHFFFAOYSA-N 		4',5-Dihydroxy-3,3'-dimethoxy-6,7-methylenedioxyflavone 4'-glucuronide
3,4,5-trihydroxy-6-[4-(9-hydroxy-7-methoxy-8-oxo-[1,3]dioxolo[4,5-g]chromen-6-yl)-2-methoxyphenoxy]oxane-2-carboxylic acid
hmdb:HMDB0301869
SYRSHYBWNZNHHW-NKUGBYDDSA-N 		5,4'-Dihydroxy-3,3'-dimethoxy-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}-2-methoxyphenoxy)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}-2-methoxyphenoxy)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}-2-methoxyphenoxy)oxane-2-carboxylic acid

hmdb:HMDB37758 		secondary/obsolete/fantasy identifier