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Give exactly one of name (a common, trade or systematic name, or a CAS registry number), inchikey or smiles. Returns compound identifiers, computed names, molecular formulas, InChIKeys, connectivity SMILES and compound page links. Matches retain the source order, up to limit. Ambiguous is true whenever the source matched more than one CID, even if limit returns only one. An unknown compound returns an empty matches list. SMILES containing / or \ are refused because the source path form cannot carry them. Identity only: no synonym lists, depositor records, synthesis routes, preparation methods or precursor lists.

Authentication

Requires x402 payment in the payment-signature header.

Request Body

string
A common, trade or systematic chemical name, or a CAS registry number such as 50-78-2; give exactly one of name, inchikey or smiles. 2 to 200 characters.
string
The compound InChIKey; give exactly one of name, inchikey or smiles. Exactly 27 characters.
string
A SMILES structure string without / or , which the source path form cannot carry; give exactly one of name, inchikey or smiles. 1 to 500 characters.
integer
The most matching compounds to return. From 1 to 10. Defaults to 5.

Response (200 OK)

Top-level envelope: success (boolean) and data (object). All fields below are nested under data.
string
Durable job ID for audit and lookup
string
Job status: completed
string
Always compound_resolve
object
The answer, described under Result below
object
Where the answer came from and when
string
The public body the data comes from. Always US National Center for Biotechnology Information (PubChem).
string
public when the data comes from a public body, commercial otherwise
string
When the lookup was made, as an ISO 8601 UTC time
string
When the source says the fact was last updated, or null when the source gives no date

Result

Nested under data.result.
object[]
Matching compounds in source order, up to limit.
integer
The PubChem compound identifier.
string
The computed systematic name.
string
The molecular formula.
string
The InChIKey identifier.
string
The connectivity SMILES structure string.
string
The compound page URL.
boolean
True when the source returned more than one CID, before applying limit.
See Pricing for this tool’s price. A wallet (x402) call receives it in the 402 quote before anything is charged; a call paid from prepaid credits is charged when the API accepts the request and answers 200.

Notes

  • Results return inline. The finished job stays available at /v1/requests/{request_id}