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5-O-(indol-3-ylacetyl)-myo-inositol D-galactoside

MNXM3874 is deprecated and here replaced by MNXM735227
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM735227 Image of MNXM735227
referencechebi:17391
formulaC22H29NO12
global charge0
mol weight499.469
InChIKeyVHFRZSJSHFOBOM-AJQUYQQFSA-N
InChIInChI=1S/C22H29NO12/c24-7-11-13(26)14(27)18(31)22(33-11)35-21-17(30)15(28)16(29)20(19(21)32)34-12(25)5-8-6-23-10-4-2-1-3-9(8)10/h1-4,6,11,13-24,26-32H,5,7H2/t11-,13+,14+,15-,16+,17+,18-,19-,20+,21-,22?/m1/s1
SMILESO=C(CC1=CNC2=CC=CC=C12)O[C@@H]1[C@@H](O)[C@H](OC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C22H29NO12/c24-7-11-13(26)14(27)18(31)22(33-11)35-21-17(30)15(28)16(29)20(19(21)32)34-12(25)5-8-6-23-10-4-2-1-3-9(8)10/h1-4,6,11,13-24,26-32H,5,7H2/t11-,13+,14+,15-,16+,17+,18-,19-,20+,21-,22?/m1/s1 Image of MNXM735227
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:10]2[C:9](=[CH:3]1)[C:8]([CH2:5][C:12](=[O:25])[O:34][C@H:20]1[C@@H:16]([OH:29])[C@@H:15]([OH:28])[C@H:17]([OH:30])[C@@H:21]([O:35][CH:22]3[C@H:18]([OH:31])[C@@H:14]([OH:27])[C@@H:13]([OH:26])[C@@H:11]([CH2:7][OH:24])[O:33]3)[C@@H:19]1[OH:32])=[CH:6][NH:23]2
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:17391
chebi:17391
VHFRZSJSHFOBOM-AJQUYQQFSA-N 		5-O-(indol-3-ylacetyl)-myo-inositol D-galactoside
(1S,2S,3R,4S,5S,6S)-3-(D-galactopyranosyloxy)-2,4,5,6-tetrahydroxycyclohexyl 1H-indol-3-ylacetate
5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside

vmhM:M00042
vmhmetabolite:M00042
VHFRZSJSHFOBOM-AJQUYQQFSA-N 		5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside

chebi:12095
chebi:20534
chebi:2105
vmhM:M_M00042 		secondary/obsolete/fantasy identifier