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CHEBI:182762 - [(2S,3S,5R,6R)-2,3,5,6-Tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-cyclohexyl] 2-(1H-indol-3-yl)acetate

ChEBI IDCHEBI:182762
ChEBI Name[(2S,3S,5R,6R)-2,3,5,6-Tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-cyclohexyl] 2-(1H-indol-3-yl)acetate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H29NO12
Net Charge0
Average Mass499.469
Monoisotopic Mass499.16898
SMILESO=C(Cc1cnc2ccccc12)OC1[C@@H](O)[C@H](O)C(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
InChIInChI=1S/C22H29NO12/c24-7-11-13(26)14(27)19(32)22(33-11)35-21-17(30)15(28)20(16(29)18(21)31)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
InChIKeyZBIDXXVRKIWIKP-BLWHGSIISA-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,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-cyclohexyl] 2-(1H-indol-3-yl)acetate (CHEBI:182762) is a indole-3-acetic acids (CHEBI:24803)
IUPAC Name 
[(2S,3S,5R,6R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl] 2-(1H-indol-3-yl)acetate
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C04695KEGG COMPOUND