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5,7,4'-Trihydroxy-6,8,3'-trimethoxyflavone 7-(3-hydroxy-3-methylglutarate)-4'-glucoside

PropertiesImage
MNX_IDMNXM27667 Image of MNXM27667
referencelipidmapsM:LMPK12111462
formulaC30H34O17
global charge0
mol weight666.585
InChIKeyFPEYXBLVSDJZDD-HMSOGQHASA-N
InChIInChI=1S/C30H34O17/c1-30(40,9-18(33)34)10-19(35)47-28-26(42-3)22(37)20-13(32)8-15(44-25(20)27(28)43-4)12-5-6-14(16(7-12)41-2)45-29-24(39)23(38)21(36)17(11-31)46-29/h5-8,17,21,23-24,29,31,36-40H,9-11H2,1-4H3,(H,33,34)/t17-,21-,23+,24-,29-,30?/m1/s1
SMILESCOC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=CC(C2=CC(=O)C3=C(O2)C(OC)=C(OC(=O)CC(C)(O)CC(=O)O)C(OC)=C3O)=C1
MNX internals
InChI (mnx)InChI=1/C30H34O17/c1-30(40,9-18(33)34)10-19(35)47-28-26(42-3)22(37)20-13(32)8-15(44-25(20)27(28)43-4)12-5-6-14(16(7-12)41-2)45-29-24(39)23(38)21(36)17(11-31)46-29/h5-8,17,21,23-24,29,31,36-40H,9-11H2,1-4H3,(H,33,34)/t17-,21-,23+,24-,29-,30?/m1/s1 Image of MNXM27667
SMILES (mnx)[CH3:1][C:30]([CH2:9][C:18](=[O:33])[OH:34])([CH2:10][C:19](=[O:35])[O:47][C:28]1=[C:26]([O:42][CH3:3])[C:22]([OH:37])=[C:20]2[C:13](=[O:32])[CH:8]=[C:15]([C:12]3=[CH:7][C:16]([O:41][CH3:2])=[C:14]([O:45][C@H:29]4[C@H:24]([OH:39])[C@@H:23]([OH:38])[C@H:21]([OH:36])[C@@H:17]([CH2:11][OH:31])[O:46]4)[CH:6]=[CH:5]3)[O:44][C:25]2=[C:27]1[O:43][CH3:4])[OH:40]
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:LMPK12111462
lipidmapsM:LMPK12111462
FPEYXBLVSDJZDD-HMSOGQHASA-N 		5,7,4'-Trihydroxy-6,8,3'-trimethoxyflavone 7-(3-hydroxy-3-methylglutarate)-4'-glucoside
hmdb:HMDB0037337
FPEYXBLVSDJZDD-UHFFFAOYSA-N 		7-(4-Carboxy-3-hydroxy-3-methylbutanoyl)sudachitin 4'-glucoside
3-Hydroxy-5-{[5-hydroxy-6,8-dimethoxy-2-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4-oxo-4H-chromen-7-yl]oxy}-3-methyl-5-oxopentanoate
3-hydroxy-5-{[5-hydroxy-6,8-dimethoxy-2-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4-oxo-4H-chromen-7-yl]oxy}-3-methyl-5-oxopentanoic acid
3-hydroxy-5-{[5-hydroxy-6,8-dimethoxy-2-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4-oxochromen-7-yl]oxy}-3-methyl-5-oxopentanoic acid
5,7,4'-Trihydroxy-6,8,3'-trimethoxyflavone 7-(3-hydroxy-3-methylglutarate)-4'-glucoside

CHEBI:191718
chebi:191718
FPEYXBLVSDJZDD-UHFFFAOYSA-N 		7-(4-Carboxy-3-hydroxy-3-methylbutanoyl)sudachitin 4'-glucoside
3-hydroxy-5-[5-hydroxy-6,8-dimethoxy-2-[3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-oxochromen-7-yl]oxy-3-methyl-5-oxopentanoic acid

hmdb:HMDB37337 		secondary/obsolete/fantasy identifier