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indole-3-acetyl-1D-myo-inositol

MNXM1379 is deprecated and here replaced by MNXM1106758
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1106758 Image of MNXM1106758
referencechebi:15711
formulaC16H19NO7
global charge0
mol weight337.328
InChIKeyXUACNUJFOIKYPQ-BKQXGZDCSA-N
InChIInChI=1S/C16H19NO7/c18-10(5-7-6-17-9-4-2-1-3-8(7)9)24-16-14(22)12(20)11(19)13(21)15(16)23/h1-4,6,11-17,19-23H,5H2/t11-,12-,13+,14-,15-,16-/m1/s1
SMILESO=C(CC1=CNC2=CC=CC=C12)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C16H19NO7/c18-10(5-7-6-17-9-4-2-1-3-8(7)9)24-16-14(22)12(20)11(19)13(21)15(16)23/h1-4,6,11-17,19-23H,5H2/t11-,12-,13+,14-,15-,16-/m1/s1 Image of MNXM1106758
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:9]2[C:8](=[CH:3]1)[C:7]([CH2:5][C:10](=[O:18])[O:24][C@@H:16]1[C@H:14]([OH:22])[C@H:12]([OH:20])[C@@H:11]([OH:19])[C@H:13]([OH:21])[C@H:15]1[OH:23])=[CH:6][NH:17]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)11
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:15711
chebi:15711
XUACNUJFOIKYPQ-BKQXGZDCSA-N 		indole-3-acetyl-1D-myo-inositol
1D-1-O-(indol-3-yl)acetyl-myo-inositol
Indol-3-ylacetyl-1D-myo-inositol
Indol-3-ylacetyl-myo-inositol
Indole-3-acetyl-myo-inositol
Indole-3-ylacetyl-myo-inositol

metacyc.compound:CPD-165
metacycM:CPD-165
XUACNUJFOIKYPQ-BKQXGZDCSA-N 		1D-1-O-(indol-3-yl)acetyl-myo-inositol

vmhM:in3amino
vmhmetabolite:in3amino
XUACNUJFOIKYPQ-BKQXGZDCSA-N 		Indole-3-acetyl-myo-inositol
hmdb:HMDB0031182
XUACNUJFOIKYPQ-BKQXGZDCSA-N 		Indole-3-acetyl-myo-inositol
(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl 1H-indol-3-ylacetate
(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl 2-(1H-indol-3-yl)acetate
1D-1-O-(indol-3-yl)acetyl-myo-inositol
1H-Indol-3-ylacetyl-myo-inositol
Indole-3-acetyl-1D-myo-inositol
Indole-3-ylacetyl-myo-inositol
indol-3-Ylacetyl-1D-myo-inositol
indol-3-Ylacetyl-myo-inositol

seed.compound:cpd02412
seedM:cpd02412
XUACNUJFOIKYPQ-BKQXGZDCSA-N 		Indole-3-acetyl-myo-inositol
1D-1-O-(indol-3-yl)acetyl-myo-inositol
Indol-3-ylacetyl-1D-myo-inositol
Indol-3-ylacetyl-myo-inositol
Indole-3-ylacetyl-myo-inositol
indol-3-yl-acetyl-myo-inositol
indol-3-ylacetyl-1D-myo-inositol
indole-3-acetyl-myo-inositol

hmdb:HMDB31182
chebi:14450
chebi:19425
chebi:5908
seedM:M_cpd02412
vmhM:M_in3amino 		secondary/obsolete/fantasy identifier