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kaempferol 3-O-gentiobioside-7-O-rhamnoside

MNXM18804 is deprecated and here replaced by MNXM1370396
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1370396 Image of MNXM1370396
referencechebi:133218
formulaC33H40O20
global charge0
mol weight756.663
InChIKeyQFSDWLPMRWDFID-CSNYLUTCSA-N
InChIInChI=1S/C33H40O20/c1-10-19(37)23(41)27(45)32(48-10)49-13-6-14(36)18-15(7-13)50-29(11-2-4-12(35)5-3-11)30(22(18)40)53-33-28(46)25(43)21(39)17(52-33)9-47-31-26(44)24(42)20(38)16(8-34)51-31/h2-7,10,16-17,19-21,23-28,31-39,41-46H,8-9H2,1H3/t10-,16+,17+,19-,20+,21+,23+,24-,25-,26+,27+,28+,31+,32-,33-/m0/s1
SMILESC[C@@H]1O[C@@H](OC2=CC3=C(C(=O)C(O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)=C(C4=CC=C(O)C=C4)O3)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C33H40O20/c1-10-19(37)23(41)27(45)32(48-10)49-13-6-14(36)18-15(7-13)50-29(11-2-4-12(35)5-3-11)30(22(18)40)53-33-28(46)25(43)21(39)17(52-33)9-47-31-26(44)24(42)20(38)16(8-34)51-31/h2-7,10,16-17,19-21,23-28,31-39,41-46H,8-9H2,1H3/t10-,16+,17+,19-,20+,21+,23+,24-,25-,26+,27+,28+,31+,32-,33-/m0/s1 Image of MNXM1370396
SMILES (mnx)[CH3:1][C@H:10]1[C@H:19]([OH:37])[C@@H:23]([OH:41])[C@@H:27]([OH:45])[C@H:32]([O:49][C:13]2=[CH:6][C:14]([OH:36])=[C:18]3[C:15](=[CH:7]2)[O:50][C:29]([C:11]2=[CH:3][CH:5]=[C:12]([OH:35])[CH:4]=[CH:2]2)=[C:30]([O:53][C@H:33]2[C@H:28]([OH:46])[C@@H:25]([OH:43])[C@H:21]([OH:39])[C@@H:17]([CH2:9][O:47][C@H:31]4[C@H:26]([OH:44])[C@@H:24]([OH:42])[C@H:20]([OH:38])[C@@H:16]([CH2:8][OH:34])[O:51]4)[O:52]2)[C:22]3=[O:40])[O:48]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:133218
chebi:133218
QFSDWLPMRWDFID-CSNYLUTCSA-N 		kaempferol 3-O-gentiobioside-7-O-rhamnoside
7-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
Kaempferol 3-gentiobioside-7-rhamnoside
kaempferol 3-glucoside-(1->6)-glucoside-7-alpha-L-rhamnoside
hmdb:HMDB0302884
QFSDWLPMRWDFID-CSNYLUTCSA-N 		Kaempferol 3-coumaroyl-triglucoside
5-hydroxy-2-(4-hydroxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)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-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-7-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one
Kaempferol 3-gentiobioside-7-rhamnoside
Kaempferol 3-glucoside-(1->6)-glucoside-7-a-L-rhamnoside
Kaempferol 3-glucoside-(1->6)-glucoside-7-alpha-L-rhamnoside

lipidmaps:LMPK12111762
lipidmapsM:LMPK12111762
QFSDWLPMRWDFID-CSNYLUTCSA-N 		Kaempferol 3-gentiobioside-7-rhamnoside
Kaempferol 3-glucoside-(1->6)-glucoside-7-alpha-L-rhamnoside

seed.compound:cpd26556
seedM:cpd26556
QFSDWLPMRWDFID-CSNYLUTCSA-M 		kaempferol-3-O-[glucopyranosyl(1-6)glucopyranoside]-7-O-rhamnopyranoside
kaempferol 3-O-glucosyl(1->6)glucoside-7-O-rhamnoside
kaempferol-3-O-gentiobioside-7-O-rhamnoside

metacyc.compound:CPD1F-431
metacycM:CPD1F-431
QFSDWLPMRWDFID-CSNYLUTCSA-N 		kaempferol-3-O-beta-gentiobioside-7-O-alpha-L-rhamnoside
kaempferol 3-O-glucosyl(1->6)glucoside-7-O-rhamnoside
kaempferol-3-O-[glucopyranosyl(1-6)glucopyranoside]-7-O-rhamnopyranoside

seedM:M_cpd26556 		secondary/obsolete/fantasy identifier