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Apigenin 7-(6''-methylglucuronide)

PropertiesImage
MNX_IDMNXM42357 Image of MNXM42357
referencelipidmapsM:LMPK12110346
formulaC22H20O11
global charge0
mol weight460.391
InChIKeyXXKIWCKZQFBXIR-SXFAUFNYSA-N
InChIInChI=1S/C22H20O11/c1-30-21(29)20-18(27)17(26)19(28)22(33-20)31-11-6-12(24)16-13(25)8-14(32-15(16)7-11)9-2-4-10(23)5-3-9/h2-8,17-20,22-24,26-28H,1H3/t17-,18-,19+,20-,22+/m0/s1
SMILESCOC(=O)[C@H]1O[C@@H](OC2=CC3=C(C(=O)C=C(C4=CC=C(O)C=C4)O3)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C22H20O11/c1-30-21(29)20-18(27)17(26)19(28)22(33-20)31-11-6-12(24)16-13(25)8-14(32-15(16)7-11)9-2-4-10(23)5-3-9/h2-8,17-20,22-24,26-28H,1H3/t17-,18-,19+,20-,22+/m0/s1 Image of MNXM42357
SMILES (mnx)[CH3:1][O:30][C:21]([C@@H:20]1[C@@H:18]([OH:27])[C@H:17]([OH:26])[C@@H:19]([OH:28])[C@H:22]([O:31][C:11]2=[CH:6][C:12]([OH:24])=[C:16]3[C:13](=[O:25])[CH:8]=[C:14]([C:9]4=[CH:3][CH:5]=[C:10]([OH:23])[CH:4]=[CH:2]4)[O:32][C:15]3=[CH:7]2)[O:33]1)=[O:29]
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:LMPK12110346
lipidmapsM:LMPK12110346
XXKIWCKZQFBXIR-SXFAUFNYSA-N 		Apigenin 7-(6''-methylglucuronide)

CHEBI:187985
chebi:187985
XXKIWCKZQFBXIR-PVJCQVCVSA-N 		Apigenin 7-(6''-methylglucuronide)
methyl (3S,4S,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylate