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kaempferol 3-O-beta-D-glucopyranosyl-7-O-alpha-L-rhamnopyranoside

PropertiesImage
MNX_IDMNXM1370944 Image of MNXM1370944
referencechebi:68882
formulaC27H30O15
global charge0
mol weight594.522
InChIKeyJYXSWDCPHRTYGU-RVCYDTIBSA-N
InChIInChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(38-9)39-12-6-13(30)16-14(7-12)40-24(10-2-4-11(29)5-3-10)25(19(16)33)42-27-23(37)21(35)18(32)15(8-28)41-27/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26-,27-/m0/s1
SMILESC[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C27H30O15/c1-9-17(31)20(34)22(36)26(38-9)39-12-6-13(30)16-14(7-12)40-24(10-2-4-11(29)5-3-10)25(19(16)33)42-27-23(37)21(35)18(32)15(8-28)41-27/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26-,27-/m0/s1 Image of MNXM1370944
SMILES (mnx)[CH3:1][C@H:9]1[C@H:17]([OH:31])[C@@H:20]([OH:34])[C@@H:22]([OH:36])[C@H:26]([O:39][C:12]2=[CH:6][C:13]([OH:30])=[C:16]3[C:14](=[CH:7]2)[O:40][C:24]([C:10]2=[CH:3][CH:5]=[C:11]([OH:29])[CH:4]=[CH:2]2)=[C:25]([O:42][C@H:27]2[C@H:23]([OH:37])[C@@H:21]([OH:35])[C@H:18]([OH:32])[C@@H:15]([CH2:8][OH:28])[O:41]2)[C:19]3=[O:33])[O:38]1
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:68882
chebi:68882
JYXSWDCPHRTYGU-RVCYDTIBSA-N 		kaempferol 3-O-beta-D-glucopyranosyl-7-O-alpha-L-rhamnopyranoside
7-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl beta-D-glucopyranoside
kaempferol 3-O-glucoside 7-O-rhamnoside
hmdb:HMDB0304608
JYXSWDCPHRTYGU-RVCYDTIBSA-N 		Kaempferol 3-O-beta-glucopyranoside-7-O-alpha-rhamnopyranoside
3-O-beta-D-Glucosyl-7-O-alpha-L-rhamnosylkaempferol
5-hydroxy-2-(4-hydroxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-4H-chromen-4-one
5-hydroxy-2-(4-hydroxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one
7-O-alpha-L-Rhamnosyl-3-O-beta-D-glucopyranosylkaempferol
7-[(6-Deoxy-a-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl b-D-glucopyranoside
7-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl beta-D-glucopyranoside
Kaempferol 3-O-b-D-glucopyranosyl-7-O-a-L-rhamnopyranoside
Kaempferol 3-O-beta-D-glucopyranoside 7-O-alpha-L-rhamnopyranoside
Kaempferol 3-O-beta-D-glucopyranosyl-7-O-alpha-L-rhamnopyranoside
Kaempferol 3-O-beta-glucopyranosyl-7-O-alpha-rhamnopyranoside
Kaempferol 3-O-glucoside 7-O-rhamnoside
Kaempferol 3-O-glucoside-7-O-rhamnoside
Kaempferol 3-beta-D-gluco-7-alpha-L-rhamnoside
Kaempferol 3-glucoside-7-rhamnoside
Kaempferol 3-glucosyl-7-rhamnoside
Kaempferol 7-O-alpha-L-rhamnopyranoside 3-O-beta-D-glucopyranoside
Kaempferol 7-O-rhamnosyl-3-O-glucoside
Kaempferol 7-rhamno-3-glucoside
Kaempferol-3-O-beta-D-glucopyranosyl-7-O-alpha-L-rhamnopyranoside
Kaempferol-7-O-alpha-L-rhamnopyranosyl-3-O-beta-D-glucopyranoside

lipidmaps:LMPK12111740
lipidmapsM:LMPK12111740
JYXSWDCPHRTYGU-RVCYDTIBSA-N 		Kaempferol 3-glucoside-7-rhamnoside

metacyc.compound:CPD1F-420
metacycM:CPD1F-420
JYXSWDCPHRTYGU-RVCYDTIBSA-N 		kaempferol-3-O-beta-D-glucopyranoside-7-O-alpha-L-rhamnopyranoside
kaempferol-3-glucoside-7-rhamnoside

seed.compound:cpd26555
seedM:cpd26555
JYXSWDCPHRTYGU-RVCYDTIBSA-M 		kaempferol-3-O-glucopyranoside-7-O-rhamnopyranoside
kaempferol-3-glucoside-7-rhamnoside

seedM:M_cpd26555 		secondary/obsolete/fantasy identifier