Search MNXref
 Feedback

Luteolin 7-O-(2-apiosyl-4-glucosyl-6-malonyl)-glucoside

PropertiesImage
MNX_IDMNXM127473 Image of MNXM127473
referencechebi:180806
formulaC35H40O23
global charge0
mol weight828.682
InChIKeyUAGBVLJNVRPERW-FBGGEYGISA-N
InChIInChI=1S/C35H40O23/c36-8-20-25(45)26(46)27(47)32(55-20)57-29-21(9-51-23(44)7-22(42)43)56-33(30(28(29)48)58-34-31(49)35(50,10-37)11-52-34)53-13-4-16(40)24-17(41)6-18(54-19(24)5-13)12-1-2-14(38)15(39)3-12/h1-6,20-21,25-34,36-40,45-50H,7-11H2,(H,42,43)/t20-,21+,25+,26-,27+,28-,29+,30+,31-,32-,33+,34-,35+/m0/s1
SMILESO=C(O)CC(=O)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC(O)=C(O)C=C4)OC3=C2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C35H40O23/c36-8-20-25(45)26(46)27(47)32(55-20)57-29-21(9-51-23(44)7-22(42)43)56-33(30(28(29)48)58-34-31(49)35(50,10-37)11-52-34)53-13-4-16(40)24-17(41)6-18(54-19(24)5-13)12-1-2-14(38)15(39)3-12/h1-6,20-21,25-34,36-40,45-50H,7-11H2,(H,42,43)/t20-,21+,25+,26-,27+,28-,29+,30+,31-,32-,33+,34-,35+/m0/s1 Image of MNXM127473
SMILES (mnx)[CH:1]1=[CH:2][C:14]([OH:38])=[C:15]([OH:39])[CH:3]=[C:12]1[C:18]1=[CH:6][C:17](=[O:41])[C:24]2=[C:16]([OH:40])[CH:4]=[C:13]([O:53][C@H:33]3[C@H:30]([O:58][C@H:34]4[C@H:31]([OH:49])[C@:35]([CH2:10][OH:37])([OH:50])[CH2:11][O:52]4)[C@@H:28]([OH:48])[C@H:29]([O:57][C@H:32]4[C@H:27]([OH:47])[C@@H:26]([OH:46])[C@H:25]([OH:45])[C@H:20]([CH2:8][OH:36])[O:55]4)[C@@H:21]([CH2:9][O:51][C:23]([CH2:7][C:22](=[O:42])[OH:43])=[O:44])[O:56]3)[CH:5]=[C:19]2[O:54]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:180806
chebi:180806
UAGBVLJNVRPERW-FBGGEYGISA-N 		Luteolin 7-O-(2-apiosyl-4-glucosyl-6-malonyl)-glucoside
3-[[(2R,3S,4S,5R,6S)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-4-hydroxy-3-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3-oxopropanoic acid
hmdb:HMDB0029259
UAGBVLJNVRPERW-FBGGEYGISA-N 		Luteolin 7-O-(2-apiosyl-4-glucosyl-6-malonyl)-glucoside
3-{[(2R,3S,4S,5R,6S)-5-{[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl]oxy}-4-hydroxy-3-{[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]methoxy}-3-oxopropanoate
3-{[(2R,3S,4S,5R,6S)-5-{[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl]oxy}-4-hydroxy-3-{[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]methoxy}-3-oxopropanoic acid
3-{[(2R,3S,4S,5R,6S)-5-{[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy}-4-hydroxy-3-{[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]methoxy}-3-oxopropanoic acid

hmdb:HMDB29259 		secondary/obsolete/fantasy identifier