(indol-3-yl)acetate

Chemical Formula:

C₁₀H₈NO₂

Molecular Weight:

174.179 Daltons

Monoisotopic Mass:

175.0633285383 Daltons

SMILES:

C([O-])(=O)CC1(=CNC2(C=CC=CC1=2))

InChI:

1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)/p-1

InChIKey:

SEOVTRFCIGRIMH-UHFFFAOYSA-M

Synonyms

Databases

MetaCyc: INDOLE_ACETATE_AUXIN

RefMet: Indoleacetic acid

MetaboLights: MTBLC30854

HMDB: HMDB00197

ChemSpider: 779

PubChem (CID): 801 802

ChEBI: 30854 16411

KEGG: C00954

CAS: 87-51-4

PupChem (SID): 4205

CHEMBL: CHEMBL82411

PDB-CCD: IAC

3DMET: B00206

NIKKAJI: J5.156J

Seed: cpd00703

MetaNetX: MNXM383

KNApSAcK: C00000100