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CHEBI:182518 - [(2S,3S,5R,6R)-2,3,5,6-Tetrahydroxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-cyclohexyl] 2-(1H-indol-3-yl)acetate

ChEBI IDCHEBI:182518
ChEBI Name[(2S,3S,5R,6R)-2,3,5,6-Tetrahydroxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-cyclohexyl] 2-(1H-indol-3-yl)acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H27NO11
Net Charge0
Average Mass469.443
Monoisotopic Mass469.15841
SMILESO=C(Cc1cnc2ccccc12)OC1[C@@H](O)[C@H](O)C(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
InChIInChI=1S/C21H27NO11/c23-11-7-31-21(18(30)13(11)25)33-20-16(28)14(26)19(15(27)17(20)29)32-12(24)5-8-6-22-10-4-2-1-3-9(8)10/h1-4,6,11,13-23,25-30H,5,7H2/t11-,13-,14-,15+,16-,17+,18+,19?,20?,21-/m0/s1
InChIKeyRBVNENAKUTUHCM-KBGLIUAJSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
[(2S,3S,5R,6R)-2,3,5,6-Tetrahydroxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-cyclohexyl] 2-(1H-indol-3-yl)acetate (CHEBI:182518) is a indole-3-acetic acids (CHEBI:24803)
IUPAC Name 
[(2S,3S,5R,6R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxycyclohexyl] 2-(1H-indol-3-yl)acetate
Manual XrefsDatabases
C04611KEGG COMPOUND