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isorhamnetin 3-sulfate

PropertiesImage
MNX_IDMNXM11925 Image of MNXM11925
referencemetacycM:CPD-10900
formulaC16H10O10S
global charge-2
mol weight394.313
InChIKeyCZFNXFXZXWDYMZ-UHFFFAOYSA-L
InChIInChI=1S/C16H12O10S/c1-24-11-4-7(2-3-9(11)18)15-16(26-27(21,22)23)14(20)13-10(19)5-8(17)6-12(13)25-15/h2-6,17-19H,1H3,(H,21,22,23)/p-2
SMILESCOC1=CC(C2=C(OS(=O)(=O)[O-])C(=O)C3=C(C=C([O-])C=C3O)O2)=CC=C1O
MNX internals
InChI (mnx)InChI=1/C16H12O10S/c1-24-11-4-7(2-3-9(11)18)15-16(26-27(21,22)23)14(20)13-10(19)5-8(17)6-12(13)25-15/h2-6,17-19H,1H3,(H,21,22,23) Image of MNXM11925
SMILES (mnx)[CH3:1][O:24][C:11]1=[C:9]([OH:18])[CH:3]=[CH:2][C:7]([C:15]2=[C:16]([O:26][S:27]([OH:21])(=[O:22])=[O:23])[C:14](=[O:20])[C:13]3=[C:10]([OH:19])[CH:5]=[C:8]([OH:17])[CH:6]=[C:12]3[O:25]2)=[CH:4]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-10900
metacycM:CPD-10900
CZFNXFXZXWDYMZ-UHFFFAOYSA-L 		isorhamnetin 3-sulfate
3' methylquercetin 3-sulphate
isorhamnetin 3-sulphate

seed.compound:cpd22870
seedM:cpd22870
CZFNXFXZXWDYMZ-UHFFFAOYSA-K 		3' methylquercetin 3-sulphate
isorhamnetin 3-sulfate
isorhamnetin 3-sulphate

sabiork.compound:27868
sabiorkM:27868
CZFNXFXZXWDYMZ-UHFFFAOYSA-L 		Isorhamnetin 3-sulfate
hmdb:HMDB0240537
CZFNXFXZXWDYMZ-UHFFFAOYSA-L 		Isorhamnetin 3-sulfate
5-hydroxy-2-(3-methoxy-4-oxidophenyl)-4-oxo-3-(sulfooxy)-4H-chromen-7-olate
5-hydroxy-2-(3-methoxy-4-oxidophenyl)-4-oxo-3-(sulfooxy)chromen-7-olate
Isorhamnetin 3-sulfuric acid
Isorhamnetin 3-sulphate
Isorhamnetin 3-sulphuric acid

lipidmaps:LMPK12112396
lipidmapsM:LMPK12112396
CZFNXFXZXWDYMZ-UHFFFAOYSA-N 		Persicarin
hmdb:HMDB0303623
CZFNXFXZXWDYMZ-UHFFFAOYSA-N 		Persicarin
[5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl]oxidanesulfonate
[5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl]oxidanesulphonate
[5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl]oxidanesulphonic acid
[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl]oxidanesulfonic acid
persicarin

seedM:M_cpd22870 		secondary/obsolete/fantasy identifier