(Q27123127)

(1R,2S,3R,4R,5S,6S)-2,3,4,5,6-Pentahydroxycyclohexyl 1H-indol-3-ylacetate (English)

1D-1-O-(indol-3-yl)acetyl-myo-inositol

6 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChIKey

(1R,2R,3R,4S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl 2-(1H-indol-3-yl)acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₆H₁₉NO₇

0 references

canonical SMILES

C1=CC=C2C(=C1)C(CC(=O)OC3(C(C(C(C(C3(O)[H])(O)[H])(O)[H])(O)[H])(O)[H])[H])=CN2

1 reference

1L-1-O-(indol-3-yl)acetyl-myo-inositol (English)

6 October 2016

isomeric SMILES

C1=CC=C2C(=C1)C(CC(=O)O[C@]3([C@]([C@]([C@@]([C@]([C@@]3(O)[H])(O)[H])(O)[H])(O)[H])(O)[H])[H])=CN2

1 reference

1L-1-O-(indol-3-yl)acetyl-myo-inositol (English)

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

6 October 2016

Identifiers

InChI

1 reference

1L-1-O-(indol-3-yl)acetyl-myo-inositol (English)

XUACNUJFOIKYPQ-IATJYDTKSA-N

6 October 2016

InChIKey

2 references

1L-1-O-(indol-3-yl)acetyl-myo-inositol (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(1R,2S,3R,4R,5S,6S)-2,3,4,5,6-Pentahydroxycyclohexyl 1H-indol-3-ylacetate (English)

6 October 2016

ChEBI ID

52044

mapping relation type

2 references

1L-1-O-(indol-3-yl)acetyl-myo-inositol (English)