mandelate

Summary

mandelate is a group of stereoisomers^[1].

Key Facts

• mandelate's instance of is recorded as group of stereoisomers^[2].
• mandelate's CAS Registry Number is recorded as 769-61-9^[3].
• mandelate's canonical SMILES is recorded as C1=CC=C(C=C1)C(C(=O)[O-])O^[4].
• mandelate's InChI is recorded as InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/p-1^[5].
• mandelate's InChIKey is recorded as IWYDHOAUDWTVEP-UHFFFAOYSA-M^[6].
• mandelate's chemical formula is recorded as C₈H₇O₃⁻^[7].
• mandelate's subclass of is recorded as carboxylate anion^[8].
• mandelate's subclass of is recorded as monoanion^[9].
• mandelate's part of is recorded as mandelate metabolic process^[10].
• mandelate's part of is recorded as mandelate catabolic process^[11].
• mandelate's part of is recorded as mandelate biosynthetic process^[12].
• mandelate's ChemSpider ID is recorded as 3064854^[13].
• mandelate's PubChem CID is recorded as 3839223^[14].
• mandelate's ChEBI ID is recorded as 25147^[15].
• mandelate's Gmelin number is recorded as 328159^[16].
• mandelate's Reaxys registry number is recorded as 4135334^[17].
• mandelate's Reaxys registry number is recorded as 3905858^[18].
• mandelate's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+151.039519'}^[19].
• mandelate's DSSTox substance ID is recorded as DTXSID90998189^[20].
• mandelate's conjugate acid is recorded as (RS)-mandelic acid^[21].
• mandelate's DSSTOX compound identifier is recorded as DTXCID901425183^[22].
• mandelate's UniChem compound ID is recorded as 1101447^[23].