Brightway Flows 1.0
GitHub

Bis(3-aminopropyl)amine

fo-75d337bc17a95473

Identity

Type
Neutral molecule
CAS
56-18-8
EC
200-261-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Bis(3-aminopropyl)amine

Alternative labels

36

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string OTBHHUPVCYLGQO-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H17N3/c7-3-1-5-9-6-2-4-8/h9H,1-8H2
IUPAC name chemrof:IUPAC_name Bis(3-aminopropyl)amine
Molecular formula chemrof:molecular_formula C6H17N3
Molecular mass chemrof:molecular_mass 131.223
Monoisotopic mass chemrof:monoisotopic_mass 131.142248, 131.14225
SMILES string chemrof:smiles_string NCCCNCCCN

Known URLs

36

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
beilstein beilstein:1071254 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=56-18-8 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:16841 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.000.238 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0025440 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=7773 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL28743 enrich_references.pubchem_identifier_url
foodb.food foodb.food:FDB028332 enrich_references.chebi_xrefs
gmelin gmelin:26839 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/RN1144MGND enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0011634 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J9.891D enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C03375 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C03375 enrich_references.pubchem_identifier_url
knapsack knapsack:C00053577 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=41435 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/5942 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2269 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/116684 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16666576 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23418450 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24529384 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25549879 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25595767 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26350146 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26817804 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26894404 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27864804 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27922663 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/29045455 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/29232652 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/31628357 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/32903416 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/901512 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q3878510 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Norspermidine enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
3202ff5b-4f0e-41fb-8eec-5737bfc62daa Environmental → Air → Aircraft cruise height EF 3.1 kg 4
92cb8b52-a7e0-4c59-b303-ee6696fd7a86 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
a6bc072a-4e42-41a0-9a35-22e41480b01b Environmental → Air → Indoor EF 3.1 kg 4
fa38c8fd-810b-4413-b0ed-895732cffe11 Environmental → Air → Long-term EF 3.1 kg 0
e248779a-b1f5-4b30-aa52-5b822d14ee3c Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
278bc5c2-b10a-4afd-b1d0-f0eb17fc65e6 Environmental → Air → Unknown EF 3.1 kg 4
1ab96170-c324-444c-8ac7-48e5c7cb604d Environmental → Ground → Agricultural EF 3.1 kg 4
ce71340b-c448-4bb6-8583-0d3b6551c59b Environmental → Ground → Non-agricultural EF 3.1 kg 4
823ad640-ad4e-44a8-9368-bed3a7d5f1bf Environmental → Ground → Unknown EF 3.1 kg 4
9f18841c-68f9-46a7-b95c-5ea2318173a1 Environmental → Water → Long-term EF 3.1 kg 0
b4f0b2eb-a746-423b-90d5-7039eded11bf Environmental → Water → Ocean EF 3.1 kg 4
e0946599-dc75-427f-8f93-c00eeb66b96c Environmental → Water → Surface water EF 3.1 kg 4
bb85a1dc-d330-4447-a5f0-fe255c935c60 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-75d337bc17a95473",
  "prefLabel": [
    {
      "@value": "Bis(3-aminopropyl)amine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:56-18-8",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,3-Propanediamine, N-(3-aminopropyl)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=56-18-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,3-Propanediamine, N1-(3-aminopropyl)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=56-18-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,5,9-Triazanonane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=56-18-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,7-diamino-4-azaheptane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "brightway-flows",
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          "http://purl.obolibrary.org/obo/CHEBI_16841"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1-Propanamine, 3,3′-iminobis-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=56-18-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,3'-azanediyldi(propanamine)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "3,3'-diaminodipropylamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "3,3'-iminobis(propylamine)",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "3,3'-Iminobispropylamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "3,3'-iminodi(propylamine)",
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      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "3,3-diaminodipropylamine",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "3,3′-Diaminodipropylamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,3′-Iminobis(propylamine)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,3′-Iminodi(propylamine)",
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      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-aza-1,7-diaminoheptane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
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          "http://purl.obolibrary.org/obo/CHEBI_16841"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "4-Azaheptamethylenediamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=56-18-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-azaheptane-1,7-diamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
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          "http://purl.obolibrary.org/obo/CHEBI_16841"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "82: PN: WO2025098440 SEQID: 172 sequence",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:56-18-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=56-18-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Baxxodur EC 110",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:56-18-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=56-18-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "bis(trimethylene)triamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_16841"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Caldine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:56-18-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=56-18-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "di(3-aminopropyl)amine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_16841"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "di(trimethylene)triamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_16841"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Dipropylamine, 3,3′-diamino-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:56-18-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=56-18-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "dipropylenetriamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_16841"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "IBDA",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:56-18-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=56-18-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N(1)-(3-aminopropyl)-1,3-propanediamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_16841"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "N,N-Bis(3-aminopropyl)amine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:56-18-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=56-18-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-(3-aminopropyl)-1,3-propandiamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_16841"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "N-(3-aminopropyl)-1,3-propanediamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_16841"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "N-(3-aminopropyl)propane-1,3-diamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "original name retained as altLabel"
      }
    },
    {
      "@value": "N-3-aminopropyl-1,3-diaminopropane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_16841"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "N1-(3-Aminopropyl)-1,3-propanediamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=56-18-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N1-(3-Aminopropyl)propan-1,3-diamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=56-18-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "norspermidine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "brightway-flows",
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          "http://purl.obolibrary.org/obo/CHEBI_16841"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[56-18-8]"
      }
    },
    {
      "@id": "knapsack:C00053577",
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    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
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      }
    }
  },
  "classifications": {
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      "@value": [
        "56-18-8"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=56-18-8"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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      ],
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      "@value": [
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        "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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You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

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