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aloin A

MNXM723581 is deprecated and here replaced by MNXM739738
!!! Alternative mappings exist !!!
PropertiesImageOccurences in reactions
MNX_IDMNXM739738Image of MNXM739738
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC21H22O9
charge0
mass418.12638
referencechebi:2991
InChIKeyAFHJQYHRLPMKHU-OSYMLPPYSA-N
InChIInChI=1S/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2/t13-,14+,17-,19+,20-,21+/m1/s1
SMILESO=C1c2c(O)cccc2[C@H]([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2cc(CO)cc(O)c21
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:2991
chebi:2991 		aloin A
(1S)-1,5-anhydro-1-[(9S)-4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydroanthracen-9-yl]-D-glucitol
Aloin A
Barbaloin
kegg.compound:C10305
keggC:C10305 		Barbaloin
Aloin
Aloin A
keggC:M_C10305 secondary/obsolete/fantasy identifier