(Q27124348)

CHEBI:55531 (English)

(R)-3-(5-benzyloxyindol-3-yl)lactic acid

6 October 2016

conjugate acid

0 references

chemical formula

C₁₈H₁₆NO₄⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3CC(C(=O)[O-])O

1 reference

CHEBI:55531 (English)

6 October 2016

isomeric SMILES

C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3C[C@H](C(=O)[O-])O

1 reference

CHEBI:55531 (English)

InChI=1S/C18H17NO4/c20-17(18(21)22)8-13-10-19-16-7-6-14(9-15(13)16)23-11-12-4-2-1-3-5-12/h1-7,9-10,17,19-20H,8,11H2,(H,21,22)/p-1/t17-/m1/s1

6 October 2016

Identifiers

InChI

1 reference

CHEBI:55531 (English)

WUWWQOPSMGVQAG-QGZVFWFLSA-M

6 October 2016

InChIKey

2 references

CHEBI:55531 (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2R)-3-[5-(Benzyloxy)-1H-indol-3-yl]-2-hydroxypropanoate (English)

6 October 2016

1 reference

CHEBI:55531 (English)

6 October 2016

ChEBI ID

55531

mapping relation type

1 reference