Rsc Compound Structure

{
  "title": "RSC ChemSpider Compound Structure",
  "description": "JSON structure documentation for chemical compound data from the RSC ChemSpider API",
  "version": "1.0",
  "entities": {
    "Compound": {
      "description": "A chemical compound record from ChemSpider",
      "fields": {
        "id": { "type": "integer", "description": "ChemSpider record ID (CSID)", "required": true },
        "smiles": { "type": "string", "description": "SMILES notation" },
        "formula": { "type": "string", "description": "Molecular formula", "required": true },
        "averageMass": { "type": "number", "description": "Average molecular mass (g/mol)" },
        "molecularWeight": { "type": "number", "description": "Molecular weight (g/mol)" },
        "monoisotopicMass": { "type": "number", "description": "Monoisotopic mass (g/mol)" },
        "nominalMass": { "type": "integer", "description": "Nominal mass (g/mol)" },
        "commonName": { "type": "string", "description": "Common name of the compound" },
        "referenceCount": { "type": "integer", "description": "Number of ChemSpider references" },
        "dataSourceCount": { "type": "integer", "description": "Number of data sources" },
        "pubmedCount": { "type": "integer", "description": "PubMed reference count" },
        "rscCount": { "type": "integer", "description": "RSC publication count" },
        "mol2D": { "type": "string", "description": "2D MOL file" },
        "mol3D": { "type": "string", "description": "3D MOL file" }
      }
    },
    "QueryResponse": {
      "description": "Response from a filter query submission",
      "fields": {
        "queryId": { "type": "string", "description": "Unique query identifier for polling", "required": true }
      }
    },
    "FilterStatus": {
      "description": "Status of a filter query",
      "fields": {
        "status": { "type": "string", "description": "Processing | Complete | Failed", "required": true },
        "count": { "type": "integer", "description": "Number of results found" },
        "message": { "type": "string", "description": "Status message or error detail" }
      }
    },
    "ExternalReference": {
      "description": "An external database reference for a compound",
      "fields": {
        "source": { "type": "string", "description": "Data source name", "required": true },
        "sourceUrl": { "type": "string", "description": "URL of the data source" },
        "externalId": { "type": "string", "description": "Identifier in the external system" },
        "externalUrl": { "type": "string", "description": "Direct URL to compound in external system" }
      }
    },
    "ConversionRequest": {
      "description": "A chemical format conversion request",
      "fields": {
        "input": { "type": "string", "description": "Chemical identifier to convert", "required": true },
        "inputFormat": { "type": "string", "description": "Source format: SMILES | InChI | InChIKey | Mol", "required": true },
        "outputFormat": { "type": "string", "description": "Target format: SMILES | InChI | InChIKey | Mol", "required": true }
      }
    }
  }
}