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CHEBI:167913 - 1H-Indol-3-ylacetyl-myo-inositol

ChEBI IDCHEBI:167913
ChEBI Name1H-Indol-3-ylacetyl-myo-inositol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H19NO7
Net Charge0
Average Mass337.328
Monoisotopic Mass337.11615
SMILESO=C(Cc1cnc2ccccc12)OC1[C@H](O)[C@H](O)C(O)[C@H](O)[C@H]1O
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
InChIKeyXUACNUJFOIKYPQ-ONKIVUJISA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
1H-Indol-3-ylacetyl-myo-inositol (CHEBI:167913) is a indole-3-acetic acids (CHEBI:24803)
IUPAC Name 
[(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl] 2-(1H-indol-3-yl)acetate
Manual XrefsDatabases
389147ChemSpider