# sirius_csifingerid_results

inchikey2D: RWRDLPDLKQPQOW
InChI: InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2
molecularFormula: C4H9N
Name: Azolidine
smiles: C1CCNC1
bounded_score: 1.0
pubchemids:
31268;3613359;11062297;12196044;12196046;12196049;12196050;18440991;20463768;53660610;57608708;57608709;57608710;57750053;60135501;90927493;91312985

links:
HMDB:(31641);Natural Products:(UNPD154562);CHEBI:(33135 52145);HSDB:(123-75-1);Plantcyc:(PYRROLIDINE);Biocyc:(PYRROLIDINE)


inchikey2D: IAZDPXIOMUYVGZ
InChI: InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
molecularFormula: C2H6OS
Name: Demasorb
smiles: CS(=O)C
bounded_score: 1.0
pubchemids:
679;75151;10103116;12206145;12264368;18594457;20151975;21022526;22345572;57247813;71309204;76973052;90811807;90817578

links:
HMDB:(2151);Natural Products:(UNPD148866);CHEBI:(28262);Maconda:(CON00016);HSDB:(67-68-5);KEGG:(C11143);Plantcyc:(DMSO);Biocyc:(DOH-ISO-VAL DMSO)


# metab_compound

inchikey: MWFMGBPGAXYFAR-UHFFFAOYSA-N
name: Acetone cyanohydrin
exact_mass: 85.053
molecular_formula: C4H7NO
smiles: CC(C)(C#N)O
name_pubchem: ACETONE CYANOHYDRIN
other_names_pubchem: 2-Hydroxy-2-methylpropanenitrile,75-86-5,Acetone cyanhydrin,2-Methyllactonitrile
smiles_pubchem: CC(C)(C#N)O
molecular_formula_pubchem: C4H7NO
exact_mass_pubchem: 85.053
iupac_prefered: 2-hydroxy-2-methylpropanenitrile
kegg_name: Acetone cyanohydrin
inchikey1: MWFMGBPGAXYFAR
inchikey2: UHFFFAOYSA
inchikey3: N
other_names:
alpha-Hydroxyisobutyronitrile; 2-Hydroxy-2-methylpropanenitrile; 2-Methyllactonitrile; Acetone cyanhydrin; 2-Hydroxyisobutyronitrile

kegg_other_names:
alpha-Hydroxyisobutyronitrile; 2-Hydroxy-2-methylpropanenitrile; 2-Methyllactonitrile; Acetone cyanhydrin; 2-Hydroxyisobutyronitrile


