Consensus flow list

Identity

Type
Neutral molecule
CAS
92-15-9
EC
202-131-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for N-(2-methoxyphenyl)-3-oxobutanamide

Alternative labels

15

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string KYYRTDXOHQYZPO-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C11H13NO3/c1-8(13)7-11(14)12-9-5-3-4-6-10(9)15-2/h3-6H,7H2,1-2H3,(H,12,14)
IUPAC name chemrof:IUPAC_name N-(2-methoxyphenyl)-3-oxobutanamide
Molecular formula chemrof:molecular_formula C11H13NO3
Molecular mass chemrof:molecular_mass 207.229
Monoisotopic mass chemrof:monoisotopic_mass 207.089543
SMILES string chemrof:smiles_string COc1ccccc1NC(=O)CC(C)=O

Known URLs

9

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=92-15-9 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.938 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9026558 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=7563 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1873009 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6VBR220ROM enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.649C enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7078 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27265584 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
7629c1fb-817e-4bfe-a65c-d7beafc109ff Environmental → Air → Aircraft cruise height EF 3.1 kg 2
12263c55-a4f4-4b08-ac74-ff8723ed09e6 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
f90535c4-399c-4845-91bd-e86927f01ac0 Environmental → Air → Indoor EF 3.1 kg 2
a98c12fd-fac6-4f52-94a6-e2e8102cb926 Environmental → Air → Long-term EF 3.1 kg 0
5c18f32b-946b-4df7-ad9d-191a71d9c8e4 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
2e260fa7-4f0d-4674-8cba-df7d4d35d82c Environmental → Air → Unknown EF 3.1 kg 2
4bc5f685-3d85-40f1-805c-bbee00e628f6 Environmental → Ground → Agricultural EF 3.1 kg 2
ecd68ca0-69c4-4822-a712-97a1e8b3f7f2 Environmental → Ground → Non-agricultural EF 3.1 kg 2
85d8ec62-98cd-4b05-828c-027c38df17ad Environmental → Ground → Unknown EF 3.1 kg 2
6fb559f6-1891-43ac-9b6d-d4d8252d31df Environmental → Water → Long-term EF 3.1 kg 0
35f93ad8-0509-4bbf-8ee8-9abfdafea382 Environmental → Water → Ocean EF 3.1 kg 2
db56e94e-c837-4356-b91c-37c9aa7a81e1 Environmental → Water → Surface water EF 3.1 kg 2
6245f99d-07d1-4909-922f-8ad2ec89f7b5 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-8f117ac1a074980b",
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        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "92-15-9"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=92-15-9"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=92-15-9"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "202-131-0"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=202-131-0"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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