What is the endpoint for [B014]Chemical Structure Details?

The [B014]Chemical Structure Details endpoint is GET https://connect.patsnap.com/chemical-openapi/compound/detail.

What data can [B014]Chemical Structure Details return?

[B014]Chemical Structure Details Get chemical structures details by InchiKey. See the Response Schema and Success Response Example on this page for the full structure.

Where can I find the OpenAPI schema for [B014]Chemical Structure Details?

The OpenAPI schema is available at /openapi.json#/paths/~1chemical-openapi~1compound~1detail/get. You can also browse the full specification at /openapi.json.

[B014]Chemical Structure Details

get

https://connect.patsnap.com/chemical-openapi/compound/detail

Try in Sandbox

Get chemical structures details by InchiKey

Request Parameters

List of parameters supported by this API endpoint

Name	Type	Example	Description
`inchi_key` Required	`string`	`BSYNRYMUTXBXSQ-UHFFFAOYSA-N`	Structure InchiKey

Response Schema

Structure of the API response data

Field Name	Type	Example	Description
`data`	`object`	-	response data
`inchi`	`string`	`InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)`	Structure Inchi
`names`	`array`	`[ "Aspirin", "2-acetyloxybenzoic acid" ]`	Structure Names
`formula`	`string`	`C9H8O4`	Molecular formula
`patents`	`object`	`Please check the form: OpenPatentsItem`	Patent List. Only return top 100, can retrieve the full set by "Chemical Structure Full Patent List" API.
`total`	`integer<int32>`	`1000`	Total Patent Count
`patents`	`array`	`Please check the form: OpenPatentItem`	Patent List
`pn`	`string`	`JP1999068462A`	Patent PN
`patent_id`	`string`	`9050f544-32cf-4809-8036-fc577b69be48`	Patent ID
`synonyms`	`array`	`[ "CDX" ]`	Synonyms
`inchi_key`	`string`	`BSYNRYMUTXBXSQ-UHFFFAOYSA-N`	InchiKey
`iupac_name`	`string`	`2-acetyloxybenzoic acid`	IUPAC name
`mol_weight`	`number<double>`	`363.39`	Mol Weight
`canonical_smiles`	`string`	`CC(=O)OC1=CC=CC=C1C(O)=O`	Structure Canonical Smiles
`cross_references`	`object`	`OpenCompoundPubChemDTO`	Cross References
`zinc`	`object`	`Please check the form: ValueUrlDTO`	ZINC
`url`	`string`	`http://pubchem.ncbi.nlm.nih.gov/compound/70372773`	url
`value`	`string`	`70372773`	value
`chebi`	`object`	`Please check the form: ValueUrlDTO`	ChEBI
`mcule`	`object`	`Please check the form: ValueUrlDTO`	Mcule
`comptox`	`object`	`Please check the form: ValueUrlDTO`	CompTox
`fda_srs`	`object`	`Please check the form: ValueUrlDTO`	FDA SRS
`nih_cli`	`object`	`Please check the form: ValueUrlDTO`	NIH Clinical Collection
`drugbank`	`object`	`Please check the form: ValueUrlDTO`	DrugBank
`pharmgkb`	`object`	`Please check the form: ValueUrlDTO`	PharmGKB
`pub_chem`	`array`	`Please check the form: ValueUrlDTO`	PubChem
`bindingdb`	`object`	`Please check the form: ValueUrlDTO`	BindingDB
`emolecules`	`object`	`Please check the form: ValueUrlDTO`	eMolecules
`nmrshiftdb`	`object`	`Please check the form: ValueUrlDTO`	NMRShiftDB
`phamacology`	`object`	`Please check the form: ValueUrlDTO`	Guide to Pharmacology
`human_metabolome`	`object`	`Please check the form: ValueUrlDTO`	Human Metabolome Database
`isometric_smiles`	`string`	`CC(=O)OC1=CC=CC=C1C(O)=O`	Structure Isometric Smiles
`status` Required	`boolean`	`false`	Status
`error_msg`	`string`	`The request parameter format is incorrect！`	Error Message
`error_code` Required	`integer`	`0`	Error Code

Success Response Example

Example of a successful API response

JSON

{
  "data": {
    "inchi": "InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)",
    "names": [
      "Aspirin",
      "2-acetyloxybenzoic acid"
    ],
    "formula": "C9H8O4",
    "patents": {
      "total": 1000,
      "patents": [
        {
          "pn": "JP1999068462A",
          "patent_id": "9050f544-32cf-4809-8036-fc577b69be48"
        }
      ]
    },
    "synonyms": [
      "CDX"
    ],
    "inchi_key": "BSYNRYMUTXBXSQ-UHFFFAOYSA-N",
    "iupac_name": "2-acetyloxybenzoic acid",
    "mol_weight": 363.39,
    "canonical_smiles": "CC(=O)OC1=CC=CC=C1C(O)=O",
    "cross_references": {
      "zinc": {
        "url": "http://pubchem.ncbi.nlm.nih.gov/compound/70372773",
        "value": 70372773
      },
      "chebi": {
        "url": "http://pubchem.ncbi.nlm.nih.gov/compound/70372773",
        "value": 70372773
      },
      "mcule": {
        "url": "http://pubchem.ncbi.nlm.nih.gov/compound/70372773",
        "value": 70372773
      },
      "comptox": {
        "url": "http://pubchem.ncbi.nlm.nih.gov/compound/70372773",
        "value": 70372773
      },
      "fda_srs": {
        "url": "http://pubchem.ncbi.nlm.nih.gov/compound/70372773",
        "value": 70372773
      },
      "nih_cli": {
        "url": "http://pubchem.ncbi.nlm.nih.gov/compound/70372773",
        "value": 70372773
      },
      "drugbank": {
        "url": "http://pubchem.ncbi.nlm.nih.gov/compound/70372773",
        "value": 70372773
      },
      "pharmgkb": {
        "url": "http://pubchem.ncbi.nlm.nih.gov/compound/70372773",
        "value": 70372773
      },
      "pub_chem": [
        {
          "url": "http://pubchem.ncbi.nlm.nih.gov/compound/70372773",
          "value": 70372773
        }
      ],
      "bindingdb": {
        "url": "http://pubchem.ncbi.nlm.nih.gov/compound/70372773",
        "value": 70372773
      },
      "emolecules": {
        "url": "http://pubchem.ncbi.nlm.nih.gov/compound/70372773",
        "value": 70372773
      },
      "nmrshiftdb": {
        "url": "http://pubchem.ncbi.nlm.nih.gov/compound/70372773",
        "value": 70372773
      },
      "phamacology": {
        "url": "http://pubchem.ncbi.nlm.nih.gov/compound/70372773",
        "value": 70372773
      },
      "human_metabolome": {
        "url": "http://pubchem.ncbi.nlm.nih.gov/compound/70372773",
        "value": 70372773
      }
    },
    "isometric_smiles": "CC(=O)OC1=CC=CC=C1C(O)=O"
  },
  "status": true,
  "error_code": 0
}

Error Codes

List of possible error codes returned by this endpoint

Business Errors

Error Code	Description
`68300004`	Invalid parameter!
`68300005`	Search api failure!
`68300006`	Analytic basic access error!
`68300007`	Bad request!
`68300008`	Service error, please try again later!
`68300010`	The file does not comply with upload specifications!

Platform Errors

Error Code	Description
`67200000`	API call exceeds the total limit set by the platform!
`67200001`	API call exceeds the total limit set by the platform!
`67200002`	The current call rate is too fast, exceeding the current configuration limit QPS!
`67200003`	The key and secret parameters for applying for the token are incorrect or the client has been disabled!
`67200004`	The requested api does not have permission. Please contact our support personnel!
`67200005`	Insufficient account balance/number of calls!
`67200006`	The client has exceeded the activation validity period!
`67200007`	The current call exceeds the configured usage limit of the day!
`67200008`	Please check if the required apikey in the query parameter has been transmitted!
`67200009`	The apikey does not match the passed bearerToken. Please check if a valid token is being used!
`67200012`	The request is illegal!
`67200100`	The current server status is busy, request response timeout!
`67200101`	The API requested currently does not exist. Please check the request path!

HTTP Status Codes

Status Code	Description
`0`	Success
`401`	Unauthorized
`403`	Forbidden
`404`	Not Found
`50400001`	Invalid parameter.
`50404002`	Unable to find related records.

Performance Metrics

Expected performance characteristics for this endpoint

Normal Response Time

5000 ms

Max Response Time

10000 ms