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Formononetin 7-(6''-malonylglucoside)

MNXM5756 is deprecated and here replaced by MNXM1371847
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1371847 Image of MNXM1371847
referencechebi:176205
formulaC25H24O12
global charge0
mol weight516.455
InChIKeyRDTAGQKYPGLCBK-UHFFFAOYSA-N
InChIInChI=1S/C25H24O12/c1-33-13-4-2-12(3-5-13)16-10-34-17-8-14(6-7-15(17)21(16)29)36-25-24(32)23(31)22(30)18(37-25)11-35-20(28)9-19(26)27/h2-8,10,18,22-25,30-32H,9,11H2,1H3,(H,26,27)
SMILESCOC1=CC=C(C2=COC3=CC(OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O)=CC=C3C2=O)C=C1
MNX internals
InChI (mnx)InChI=1/C25H24O12/c1-33-13-4-2-12(3-5-13)16-10-34-17-8-14(6-7-15(17)21(16)29)36-25-24(32)23(31)22(30)18(37-25)11-35-20(28)9-19(26)27/h2-8,10,18,22-25,30-32H,9,11H2,1H3,(H,26,27)/t18?,22?,23?,24?,25? Image of MNXM1371847
SMILES (mnx)[CH3:1][O:33][C:13]1=[CH:5][CH:3]=[C:12]([C:16]2=[CH:10][O:34][C:17]3=[C:15]([CH:7]=[CH:6][C:14]([O:36][CH:25]4[CH:24]([OH:32])[CH:23]([OH:31])[CH:22]([OH:30])[CH:18]([CH2:11][O:35][C:20]([CH2:9][C:19](=[O:26])[OH:27])=[O:28])[O:37]4)=[CH:8]3)[C:21]2=[O:29])[CH:2]=[CH:4]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

CHEBI:176205
chebi:176205
RDTAGQKYPGLCBK-UHFFFAOYSA-N 		Formononetin 7-(6''-malonylglucoside)
3-oxo-3-[[3,4,5-trihydroxy-6-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propanoic acid
hmdb:HMDB0029493
RDTAGQKYPGLCBK-UHFFFAOYSA-N 		Formononetin 7-(6''-malonylglucoside)
3-oxo-3-[(3,4,5-Trihydroxy-6-{[3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methoxy]propanoate
3-oxo-3-[(3,4,5-trihydroxy-6-{[3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methoxy]propanoic acid
3-oxo-3-[(3,4,5-trihydroxy-6-{[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy}oxan-2-yl)methoxy]propanoic acid
Formononetin 7-O-(6''-malonylglucoside)
Formononetin 7-O-glucoside-6''-malonate

hmdb:HMDB29493 		secondary/obsolete/fantasy identifier