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Kaempferol 3-O-rhamnoside-7-O-glucoside

MNXM18801 is deprecated and here replaced by MNXM58793
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM58793 Image of MNXM58793
referencekeggC:C21854
formulaC27H30O15
global charge0
mol weight594.522
InChIKeyMBLYALXOUBKFNE-SOABXMLTSA-N
InChIInChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(38-9)42-25-19(33)16-13(30)6-12(39-27-23(37)21(35)18(32)15(8-28)41-27)7-14(16)40-24(25)10-2-4-11(29)5-3-10/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=C(C3=CC=C(O)C=C3)OC3=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=CC(O)=C3C2=O)[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)42-25-19(33)16-13(30)6-12(39-27-23(37)21(35)18(32)15(8-28)41-27)7-14(16)40-24(25)10-2-4-11(29)5-3-10/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 MNXM58793
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:42][C:25]2=[C:24]([C:10]3=[CH:3][CH:5]=[C:11]([OH:29])[CH:4]=[CH:2]3)[O:40][C:14]3=[CH:7][C:12]([O:39][C@H:27]4[C@H:23]([OH:37])[C@@H:21]([OH:35])[C@H:18]([OH:32])[C@@H:15]([CH2:8][OH:28])[O:41]4)=[CH:6][C:13]([OH:30])=[C:16]3[C:19]2=[O:33])[O:38]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

kegg.compound:C21854
keggC:C21854
MBLYALXOUBKFNE-SOABXMLTSA-N 		Kaempferol 3-O-rhamnoside-7-O-glucoside

lipidmaps:LMPK12111864
lipidmapsM:LMPK12111864
MBLYALXOUBKFNE-SOABXMLTSA-N 		Kaempferol 3-rhamnoside-7-glucoside

seed.compound:cpd25006
seedM:cpd25006
MBLYALXOUBKFNE-SOABXMLTSA-M 		kaempferol 3-O-rhamnoside-7-O-glucoside

metacyc.compound:CPD-8012
metacycM:CPD-8012
MBLYALXOUBKFNE-SOABXMLTSA-N 		kaempferol 7-O-beta-D-glucoside-3-O-alpha-L-rhamnoside

keggC:M_C21854
seedM:M_cpd25006 		secondary/obsolete/fantasy identifier