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Kaempferol 3-(6''-malonylgalactoside)

MNXM58699 is deprecated and replaced by MNXM58698
PropertiesImage
MNX_IDMNXM58698 Image of MNXM58698
referencelipidmapsM:LMPK12111689
formulaC24H22O14
global charge0
mol weight534.426
InChIKeyXEXCLTHHXIWUHO-YYYZAYPPSA-N
InChIInChI=1S/C24H22O14/c25-10-3-1-9(2-4-10)22-23(19(32)17-12(27)5-11(26)6-13(17)36-22)38-24-21(34)20(33)18(31)14(37-24)8-35-16(30)7-15(28)29/h1-6,14,18,20-21,24-27,31,33-34H,7-8H2,(H,28,29)/t14-,18+,20+,21-,24+/m1/s1
SMILESO=C(O)CC(=O)OC[C@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=C(C2=O)C(O)=CC(O)=C3)[C@H](O)[C@@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C24H22O14/c25-10-3-1-9(2-4-10)22-23(19(32)17-12(27)5-11(26)6-13(17)36-22)38-24-21(34)20(33)18(31)14(37-24)8-35-16(30)7-15(28)29/h1-6,14,18,20-21,24-27,31,33-34H,7-8H2,(H,28,29)/t14-,18+,20+,21-,24+/m1/s1 Image of MNXM58698
SMILES (mnx)[CH:1]1=[CH:3][C:10]([OH:25])=[CH:4][CH:2]=[C:9]1[C:22]1=[C:23]([O:38][C@H:24]2[C@H:21]([OH:34])[C@@H:20]([OH:33])[C@@H:18]([OH:31])[C@@H:14]([CH2:8][O:35][C:16]([CH2:7][C:15](=[O:28])[OH:29])=[O:30])[O:37]2)[C:19](=[O:32])[C:17]2=[C:12]([OH:27])[CH:5]=[C:11]([OH:26])[CH:6]=[C:13]2[O:36]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

lipidmaps:LMPK12111689
lipidmapsM:LMPK12111689
XEXCLTHHXIWUHO-YYYZAYPPSA-N 		Kaempferol 3-(6''-malonylgalactoside)
hmdb:HMDB0037434
XEXCLTHHXIWUHO-UHFFFAOYSA-N 		6''-Malonylastragalin
3-[(6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-oxopropanoate
3-[(6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-oxopropanoic acid
3-[(6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-oxopropanoic acid
Kaempferol 3-(6''-malonylglucoside)

CHEBI:142248
chebi:142248
XEXCLTHHXIWUHO-UHFFFAOYSA-N 		6''-malonylastragalin

hmdb:HMDB37434 		secondary/obsolete/fantasy identifier