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aloin A

MNXM723581 is deprecated and here replaced by MNXM1372037
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1372037 Image of MNXM1372037
referencechebi:2991
formulaC21H22O9
global charge0
mol weight418.398
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=C1C2=C(O)C=CC=C2[C@H]([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C2=C1C(O)=CC(CO)=C2
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM1372037
SMILES (mnx)[CH:1]1=[CH:2][C:9]2=[C:15]([C:11]([OH:24])=[CH:3]1)[C:18](=[O:27])[C:16]1=[C:10]([CH:4]=[C:8]([CH2:6][OH:22])[CH:5]=[C:12]1[OH:25])[C@H:14]2[C@H:21]1[C@H:20]([OH:29])[C@@H:19]([OH:28])[C@H:17]([OH:26])[C@@H:13]([CH2:7][OH:23])[O:30]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:2991
chebi:2991
AFHJQYHRLPMKHU-OSYMLPPYSA-N 		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
AFHJQYHRLPMKHU-OSYMLPPYSA-N 		Barbaloin
Aloin
Aloin A

metacyc.compound:CPD-11590
metacycM:CPD-11590
AFHJQYHRLPMKHU-OSYMLPPYSA-N 		aloin A
barbaloin

keggC:M_C10305 		secondary/obsolete/fantasy identifier