CHEBI:52044 - 1L-1-O-(indol-3-yl)acetyl-myo-inositol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1L-1-O-(indol-3-yl)acetyl-myo-inositol
ChEBI ID CHEBI:52044
ChEBI ASCII Name 1L-1-O-(indol-3-yl)acetyl-myo-inositol
Definition A cyclitol ester that is 1L-myo-inositol bearing a indol-3-acetyl substituent at position 1.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
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Formula C16H19NO7
Net Charge 0
Average Mass 337.32460
Monoisotopic Mass 337.11615
InChI InChI=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-/m0/s1
InChIKey XUACNUJFOIKYPQ-IATJYDTKSA-N
SMILES O[C@H]1[C@H](O)[C@H](O)[C@H](OC(=O)Cc2c[nH]c3ccccc23)[C@@H](O)[C@@H]1O
ChEBI Ontology
Outgoing 1L-1-O-(indol-3-yl)acetyl-myo-inositol (CHEBI:52044) has functional parent myo-inositol (CHEBI:17268)
1L-1-O-(indol-3-yl)acetyl-myo-inositol (CHEBI:52044) is a cyclitol ester (CHEBI:64426)
1L-1-O-(indol-3-yl)acetyl-myo-inositol (CHEBI:52044) is a indoles (CHEBI:24828)
IUPAC Name
1L-1-O-(indol-3-yl)acetyl-myo-inositol
Synonym Source
O-(indol-3-yl)acetyl-myo-inositol ChEBI
Last Modified
30 April 2012