Consensus flow list

Identity

Type
Neutral molecule
CAS
98-37-3
EC
202-662-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 3-amino-4-hydroxybenzenesulfonic Acid

Alternative labels

14

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ULUIMLJNTCECJU-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H7NO4S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3,8H,7H2,(H,9,10,11)
IUPAC name chemrof:IUPAC_name 3-amino-4-hydroxybenzenesulfonic Acid
Molecular formula chemrof:molecular_formula C6H7NO4S
Molecular mass chemrof:molecular_mass 189.192
Monoisotopic mass chemrof:monoisotopic_mass 189.009579
SMILES string chemrof:smiles_string Nc1cc(S(=O)(=O)O)ccc1O

Known URLs

11

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=98-37-3 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.421 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5024500 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=1491 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1455467 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4WE7CX7RD5 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J76.375F enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7385 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2585 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=020195 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q20059738 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
85507bed-8d3d-4f29-87f9-6af9c643440a Environmental → Air → Aircraft cruise height EF 3.1 kg 2
fc2b40f2-bb17-4de2-9029-4c24c05abcdd Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
cf948a5b-ac19-4690-91c2-6062940464ea Environmental → Air → Indoor EF 3.1 kg 2
647f3df7-d4ef-404a-8fe7-4972b3970d0f Environmental → Air → Long-term EF 3.1 kg 0
18800bdf-2f87-49b2-9fee-b9bc5ff8830f Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
5c7edac1-aff1-457f-94c0-dd10efcd0bda Environmental → Air → Unknown EF 3.1 kg 2
d7e38f4a-8b87-4ee2-baae-3edb7d0e77ee Environmental → Ground → Agricultural EF 3.1 kg 2
5057bc23-3281-47c8-b397-3807447fef1a Environmental → Ground → Non-agricultural EF 3.1 kg 2
1f3ff11e-a8d3-4354-8bca-963fd1506072 Environmental → Ground → Unknown EF 3.1 kg 2
50e03240-9698-4f68-b0b2-d652ec7f86bf Environmental → Water → Long-term EF 3.1 kg 0
0b4fc0ab-e521-4d47-830a-c6fc35e85f08 Environmental → Water → Ocean EF 3.1 kg 2
9c7109eb-fee3-47eb-bfbe-ce7d28b94728 Environmental → Water → Surface water EF 3.1 kg 2
d052a5a7-6a23-4413-840c-f741ba9c49a9 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-71af50d5c2bd64dc",
  "prefLabel": [
    {
      "@value": "3-amino-4-hydroxybenzenesulfonic Acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-Amino-2-hydroxy-5-benzenesulfonic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Hydroxy-2-aminobenzene-4-sulfonic acid",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    {
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      "@value": "2-Hydroxy-5-sulfoaniline",
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    {
      "@value": "3-Azaniumyl-4-hydroxybenzenesulfonate",
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    {
      "@value": "Benzenesulfonic acid, 3-amino-4-hydroxy-",
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    {
      "@value": "Metanilic acid, 4-hydroxy-",
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        "prov:wasDerivedFrom": "pubchem.identifiers[98-37-3]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "0b4fc0ab-e521-4d47-830a-c6fc35e85f08",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "98-37-3"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=98-37-3"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=98-37-3"
        }
      ],
      "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": [
        "202-662-8"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=202-662-8"
      ],
      "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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