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quercetin 3-O-rhamnoside-7-O-glucoside

MNXM12836 is deprecated and here replaced by MNXM727835
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM727835 Image of MNXM727835
referencechebi:133244
formulaC27H30O16
global charge0
mol weight610.521
InChIKeyMCTZMXCUYPDYNE-AHHFARBASA-N
InChIInChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(39-8)43-25-19(34)16-13(31)5-10(40-27-23(38)21(36)18(33)15(7-28)42-27)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26-,27+/m0/s1
SMILESC[C@@H]1O[C@@H](OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(C2=O)C(O)=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C3)[C@H](O)[C@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C27H30O16/c1-8-17(32)20(35)22(37)26(39-8)43-25-19(34)16-13(31)5-10(40-27-23(38)21(36)18(33)15(7-28)42-27)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26-,27+/m0/s1 Image of MNXM727835
SMILES (mnx)[CH3:1][C@H:8]1[C@H:17]([OH:32])[C@@H:20]([OH:35])[C@@H:22]([OH:37])[C@H:26]([O:43][C:25]2=[C:24]([C:9]3=[CH:4][C:12]([OH:30])=[C:11]([OH:29])[CH:3]=[CH:2]3)[O:41][C:14]3=[CH:6][C:10]([O:40][C@H:27]4[C@H:23]([OH:38])[C@@H:21]([OH:36])[C@H:18]([OH:33])[C@@H:15]([CH2:7][OH:28])[O:42]4)=[CH:5][C:13]([OH:31])=[C:16]3[C:19]2=[O:34])[O:39]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:133244
chebi:133244
MCTZMXCUYPDYNE-AHHFARBASA-N 		quercetin 3-O-rhamnoside-7-O-glucoside
3-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl beta-D-glucopyranoside
Quercetin 3-rhamnoside-7-glucoside
quercetin 3-O-alpha-L-rhamnoside-7-O-beta-D-glucoside
quercetin 3-O-alpha-rhamnoside-7-O-beta-glucoside

kegg.compound:C19796
keggC:C19796
MCTZMXCUYPDYNE-AHHFARBASA-N 		Quercetin 3-O-rhamnoside 7-O-glucoside

lipidmaps:LMPK12112199
lipidmapsM:LMPK12112199
MCTZMXCUYPDYNE-AHHFARBASA-N 		Quercetin 3-rhamnoside-7-glucoside

keggC:M_C19796 		secondary/obsolete/fantasy identifier