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malonylgenistin

MNXM7508 is deprecated and here replaced by MNXM1370233
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1370233 Image of MNXM1370233
referencechebi:80372
formulaC24H22O13
global charge0
mol weight518.427
InChIKeyFRAUJUKWSKMNJY-RSEYPYQYSA-N
InChIInChI=1S/C24H22O13/c25-11-3-1-10(2-4-11)13-8-34-15-6-12(5-14(26)19(15)20(13)30)36-24-23(33)22(32)21(31)16(37-24)9-35-18(29)7-17(27)28/h1-6,8,16,21-26,31-33H,7,9H2,(H,27,28)/t16-,21-,22+,23-,24-/m1/s1
SMILESO=C(O)CC(=O)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4)=COC3=C2)[C@H](O)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C24H22O13/c25-11-3-1-10(2-4-11)13-8-34-15-6-12(5-14(26)19(15)20(13)30)36-24-23(33)22(32)21(31)16(37-24)9-35-18(29)7-17(27)28/h1-6,8,16,21-26,31-33H,7,9H2,(H,27,28)/t16-,21-,22+,23-,24-/m1/s1 Image of MNXM1370233
SMILES (mnx)[CH:1]1=[CH:3][C:11]([OH:25])=[CH:4][CH:2]=[C:10]1[C:13]1=[CH:8][O:34][C:15]2=[CH:6][C:12]([O:36][C@H:24]3[C@H:23]([OH:33])[C@@H:22]([OH:32])[C@H:21]([OH:31])[C@@H:16]([CH2:9][O:35][C:18]([CH2:7][C:17](=[O:27])[OH:28])=[O:29])[O:37]3)=[CH:5][C:14]([OH:26])=[C:19]2[C:20]1=[O:30]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:80372
chebi:80372
FRAUJUKWSKMNJY-RSEYPYQYSA-N 		malonylgenistin
5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 6-O-(carboxyacetyl)-beta-D-glucopyranoside
6''-Malonylgenistin
genistein 7-O-beta-D-glucoside 6''-O-malonate
genistin malonate

lipidmaps:LMPK12050173
lipidmapsM:LMPK12050173
FRAUJUKWSKMNJY-RSEYPYQYSA-N 		Genistein 7-O-glucoside-6''-malonate

kegg.compound:C16192
keggC:C16192
FRAUJUKWSKMNJY-RSEYPYQYSA-N 		Malonylgenistin

seed.compound:cpd14911
seedM:cpd14911
FRAUJUKWSKMNJY-RSEYPYQYSA-M 		Malonylgenistin
malonylgenistin

metacyc.compound:CPD-3422
metacycM:CPD-3422
FRAUJUKWSKMNJY-RSEYPYQYSA-M 		malonylgenistin

chebi:133338
keggC:M_C16192
seedM:M_cpd14911 		secondary/obsolete/fantasy identifier