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Betanin

MNXM3931 is deprecated and here replaced by MNXM735320
!!! Alternative mappings exist !!!
PropertiesImageOccurences in reactions
MNX_IDMNXM735320Image of MNXM735320
#reac
in my sandbox 0
in MNXref (generic)8
in models (compartimentalized) 0
formulaC24H26N2O13
charge0
mass550.14349
referencechebi:3080
InChIKeyDHHFDKNIEVKVKS-FMOSSLLZSA-N
InChIInChI=1S/C24H26N2O13/c27-8-17-18(29)19(30)20(31)24(39-17)38-16-6-10-5-14(23(36)37)26(13(10)7-15(16)28)2-1-9-3-11(21(32)33)25-12(4-9)22(34)35/h1-3,6-7,12,14,17-20,24,27,29-31H,4-5,8H2,(H4,28,32,33,34,35,36,37)/t12-,14-,17+,18+,19-,20+,24+/m0/s1
SMILESO=C(O)C1=C/C(=C/C=[N+]2/c3cc(O)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3C[C@H]2C(=O)[O-])C[C@@H](C(=O)O)N1
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:3080
chebi:3080
kegg.compound:C08540
keggC:C08540 		Betanin
seed.compound:cpd05447
seedM:cpd05447 		Betanin
Beetroot Red
E162
betanidin 5-O-beta-glucoside
betanin
metacyc.compound:CPD-8654
metacycM:CPD-8654 		betanin
Beetroot Red
E162
betanidin 5-O-beta-glucoside
keggC:M_C08540
seedM:M_cpd05447 		secondary/obsolete/fantasy identifier