5-O-(indol-3-ylacetyl)-myo-inositol D-galactoside (Q27102376)

5-O-(indol-3-ylacetyl)-myo-inositol D-galactoside (English)

5 October 2016

chemical formula

C₂₂H₂₉NO₁₂

1 reference

5-O-(indol-3-ylacetyl)-myo-inositol D-galactoside (English)

5 October 2016

canonical SMILES

C1=CC=C2C(=C1)C(=CN2)CC(=O)OC3C(C(C(C(C3O)OC4C(C(C(C(O4)CO)O)O)O)O)O)O

1 reference

5-O-(indol-3-ylacetyl)-myo-inositol D-galactoside (English)

5 October 2016

isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(=O)O[C@H]3[C@H]([C@H]([C@@H]([C@H]([C@@H]3O)OC4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O)O

1 reference

5-O-(indol-3-ylacetyl)-myo-inositol D-galactoside (English)

InChI=1S/C22H29NO12/c24-7-11-13(26)14(27)18(31)22(33-11)35-21-17(30)15(28)16(29)20(19(21)32)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

5 October 2016

Identifiers

InChI

1 reference

5-O-(indol-3-ylacetyl)-myo-inositol D-galactoside (English)

VHFRZSJSHFOBOM-AJQUYQQFSA-N

5 October 2016

InChIKey

2 references

5-O-(indol-3-ylacetyl)-myo-inositol D-galactoside (English)

5 October 2016

stated in

ChEBI release 2020-09-01

1 reference

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

5 October 2016

2 references

5-O-(indol-3-ylacetyl)-myo-inositol D-galactoside (English)

matched by identifier from

5 October 2016

InChIKey

VHFRZSJSHFOBOM-AJQUYQQFSA-N

ChEBI ID

17391

mapping relation type

2 references

5-O-(indol-3-ylacetyl)-myo-inositol D-galactoside (English)