6)-[apiosyl-(1->2)-glucoside]'>
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Patuletin 3-(2''-feruloylglucosyl)-(1->6)-[apiosyl-(1->2)-glucoside]

PropertiesImage
MNX_IDMNXM129072 Image of MNXM129072
referencelipidmapsM:LMPK12112963
formulaC43H48O25
global charge0
mol weight964.832
InChIKeyVSMDAOFJZBLZOB-JFGFUAGISA-N
InChIInChI=1S/C43H48O25/c1-59-22-9-16(3-6-19(22)47)4-8-26(50)66-37-32(55)28(51)24(12-44)64-40(37)61-13-25-29(52)33(56)38(68-42-39(57)43(58,14-45)15-62-42)41(65-25)67-36-31(54)27-23(11-21(49)35(60-2)30(27)53)63-34(36)17-5-7-18(46)20(48)10-17/h3-11,24-25,28-29,32-33,37-42,44-49,51-53,55-58H,12-15H2,1-2H3/b8-4+/t24-,25-,28-,29-,32+,33+,37-,38-,39+,40-,41+,42+,43-/m1/s1
SMILESCOC1=CC(/C=C/C(=O)O[C@H]2[C@H](OC[C@H]3O[C@@H](OC4=C(C5=CC(O)=C(O)C=C5)OC5=CC(O)=C(OC)C(O)=C5C4=O)[C@H](O[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)=CC=C1O
MNX internals
InChI (mnx)InChI=1/C43H48O25/c1-59-22-9-16(3-6-19(22)47)4-8-26(50)66-37-32(55)28(51)24(12-44)64-40(37)61-13-25-29(52)33(56)38(68-42-39(57)43(58,14-45)15-62-42)41(65-25)67-36-31(54)27-23(11-21(49)35(60-2)30(27)53)63-34(36)17-5-7-18(46)20(48)10-17/h3-11,24-25,28-29,32-33,37-42,44-49,51-53,55-58H,12-15H2,1-2H3/b8-4+/t24-,25-,28-,29-,32+,33+,37-,38-,39+,40-,41+,42+,43-/m1/s1 Image of MNXM129072
SMILES (mnx)[CH3:1][O:59][C:22]1=[C:19]([OH:47])[CH:6]=[CH:3][C:16](/[CH:4]=[CH:8]/[C:26](=[O:50])[O:66][C@@H:37]2[C@@H:32]([OH:55])[C@H:28]([OH:51])[C@@H:24]([CH2:12][OH:44])[O:64][C@H:40]2[O:61][CH2:13][C@@H:25]2[C@@H:29]([OH:52])[C@H:33]([OH:56])[C@@H:38]([O:68][C@H:42]3[C@H:39]([OH:57])[C@:43]([CH2:14][OH:45])([OH:58])[CH2:15][O:62]3)[C@H:41]([O:67][C:36]3=[C:34]([C:17]4=[CH:10][C:20]([OH:48])=[C:18]([OH:46])[CH:7]=[CH:5]4)[O:63][C:23]4=[C:27]([C:30]([OH:53])=[C:35]([O:60][CH3:2])[C:21]([OH:49])=[CH:11]4)[C:31]3=[O:54])[O:65]2)=[CH:9]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:LMPK12112963
lipidmapsM:LMPK12112963
VSMDAOFJZBLZOB-JFGFUAGISA-N 		Patuletin 3-(2''-feruloylglucosyl)-(1->6)-[apiosyl-(1->2)-glucoside]
Quercetagetin 6-methyl ether 3-(2''-feruloylglucosyl)-(1->6)-[apiosyl-(1->2)-glucoside]
hmdb:HMDB0031585
VSMDAOFJZBLZOB-JFGFUAGISA-N 		Patuletin 3-(2''-apiosyl-[2'''-feruloylgentiobioside])
(2R,3R,4S,5S,6R)-2-{[(2R,3S,4S,5R,6S)-5-{[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-4-oxo-4H-chromen-3-yl]oxy}-3,4-dihydroxyoxan-2-yl]methoxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
(2R,3R,4S,5S,6R)-2-{[(2R,3S,4S,5R,6S)-5-{[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-4-oxo-4H-chromen-3-yl]oxy}-3,4-dihydroxyoxan-2-yl]methoxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
(2R,3R,4S,5S,6R)-2-{[(2R,3S,4S,5R,6S)-5-{[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-4-oxochromen-3-yl]oxy}-3,4-dihydroxyoxan-2-yl]methoxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
3-[[O-D-apio-beta-D-Furanosyl-(1->2)-O-[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl-(1->6)]-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-4H-1-benzopyran-4-one
Patuletin 3-(2''-feruloylglucosyl)-(1->6)-[apiosyl-(1->2)-glucoside]
Patuletin 3-O-(2''-feruloylglucosyl)(1->6)-[apiosyl(1->2)]-glucoside
Patuletin 3-O-beta-D-(2''-feruloylglucopyranosyl)(1->6)-[beta-D-apiofuranosyl(1->2)]-beta-D-glucopyranoside
Quercetagetin 6-methyl ether 3-(2''-feruloylglucosyl)-(1->6)-[apiosyl-(1->2)-glucoside]

hmdb:HMDB31585 		secondary/obsolete/fantasy identifier