ChemSpider Compound

{
  "$schema": "https://json-schema.org/draft/2020-12/schema",
  "$id": "https://api.rsc.org/schemas/compound",
  "title": "ChemSpider Compound",
  "description": "A chemical compound record from the RSC ChemSpider database",
  "type": "object",
  "properties": {
    "id": {
      "type": "integer",
      "description": "ChemSpider record ID (CSID)"
    },
    "smiles": {
      "type": "string",
      "description": "SMILES representation of the compound structure"
    },
    "formula": {
      "type": "string",
      "description": "Molecular formula (e.g., C6H12O6)"
    },
    "averageMass": {
      "type": "number",
      "description": "Average molecular mass in g/mol"
    },
    "molecularWeight": {
      "type": "number",
      "description": "Molecular weight in g/mol"
    },
    "monoisotopicMass": {
      "type": "number",
      "description": "Monoisotopic mass in g/mol"
    },
    "nominalMass": {
      "type": "integer",
      "description": "Nominal mass (integer) in g/mol"
    },
    "commonName": {
      "type": "string",
      "description": "Common or IUPAC name of the compound"
    },
    "referenceCount": {
      "type": "integer",
      "description": "Total number of references in ChemSpider",
      "minimum": 0
    },
    "dataSourceCount": {
      "type": "integer",
      "description": "Number of external data sources containing this compound",
      "minimum": 0
    },
    "pubmedCount": {
      "type": "integer",
      "description": "Number of PubMed articles referencing this compound",
      "minimum": 0
    },
    "rscCount": {
      "type": "integer",
      "description": "Number of RSC publications referencing this compound",
      "minimum": 0
    },
    "mol2D": {
      "type": "string",
      "description": "2D MOL file representation of the compound"
    },
    "mol3D": {
      "type": "string",
      "description": "3D MOL file representation of the compound"
    }
  },
  "required": ["id", "formula"]
}