Consensus flow list

3-[1-hydroxy-2-(methylamino)ethyl]phenol

fo-d976e7cd869fc04d

Identity

Type
Neutral molecule
CAS
59-42-7
EC
200-424-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 3-[1-hydroxy-2-(methylamino)ethyl]phenol

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

39

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string SONNWYBIRXJNDC-VIFPVBQESA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3, InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1
Isomeric SMILES string chemrof:isomeric_smiles_string CNC[C@H](O)c1cccc(O)c1
IUPAC name chemrof:IUPAC_name 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol, 3-[(1R)-2-(methylamino)-1-oxidanyl-ethyl]phenol
Molecular formula chemrof:molecular_formula C9H13NO2
Molecular mass chemrof:molecular_mass 167.208
Monoisotopic mass chemrof:monoisotopic_mass 167.094629, 167.09463
SMILES string chemrof:smiles_string CNCC(O)c1cccc(O)c1

Known URLs

61

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=59-42-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:8093 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.000.386 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9023465 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB00388 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB00388 enrich_references.pubchem_identifier_url
drugcentral drugcentral:2146 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/2146 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1215 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/1WS297W6MV enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0002182 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J8.601K enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C07441 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D08365 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C07441 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D08365 enrich_references.pubchem_identifier_url
lincs.smallmolecule lincs.smallmolecule:LSM-15380 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=38062 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C62067 enrich_references.pubchem_identifier_url
patent patent:US1932347 enrich_references.chebi_xrefs
patent patent:US1954389 enrich_references.chebi_xrefs
pharmgkb.org https://www.pharmgkb.org/chemical/PA450935 enrich_references.pubchem_identifier_url
pharos.nih.gov https://pharos.nih.gov/ligands/RDLQTF8DU779 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL1215 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6041 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=002646 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/10100801 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/11064374 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/11528305 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/12172708 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15492464 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15522277 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15686119 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19372348 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19427353 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24588024 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25719378 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25902390 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26143019 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26428281 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26513673 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26597497 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26709790 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26873547 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26928367 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26991619 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26992790 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27020488 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27117950 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27164015 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27249899 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27288620 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28166217 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/7516005 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/7879981 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/8763311 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/8853328 enrich_references.chebi_xrefs
reaxys reaxys:3198815 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/8163 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q421910 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Phenylephrine enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
66918632-2840-4b22-b257-d91997567b47 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
4b85844b-4de9-4c95-901a-46bf351e4018 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
2773a68d-a77c-4ab3-a1bd-1549198a0e71 Environmental → Air → Indoor EF 3.1 kg 2
3d86406b-bd42-4467-a8bd-2d40e7e38cc8 Environmental → Air → Long-term EF 3.1 kg 0
1eb712ac-36a5-4569-91b0-4e7334665abc Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
809b8716-c910-429c-a429-a0356e1c5b26 Environmental → Air → Unknown EF 3.1 kg 2
99a0fa7c-fe4a-4bfb-a8e6-24d8c01f854b Environmental → Ground → Agricultural EF 3.1 kg 2
36e1be17-dd7c-4aae-b5ab-a41a32646b83 Environmental → Ground → Non-agricultural EF 3.1 kg 2
13e75ce1-11ed-47ec-983c-d39917e86f86 Environmental → Ground → Unknown EF 3.1 kg 2
3b6a867a-4684-49fd-83dc-efe83b2a2fa7 Environmental → Water → Long-term EF 3.1 kg 0
cf9aeb47-1ba8-4318-88d0-13fe400ef0ec Environmental → Water → Ocean EF 3.1 kg 2
12d74884-0a65-4f53-84ae-a29a08ce3f67 Environmental → Water → Surface water EF 3.1 kg 2
5cb0c62d-a752-407d-938a-93b56fc47f78 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-d976e7cd869fc04d",
  "prefLabel": [
    {
      "@value": "3-[1-hydroxy-2-(methylamino)ethyl]phenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
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        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(-)-m-hydroxy-alpha-(methylaminomethyl)benzyl alcohol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(-)-m-Hydroxy-α-(methylaminomethyl)benzyl alcohol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:59-42-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=59-42-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(-)-m-Oxedrine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(-)-m-Synephrine",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(-)-Phenylephrine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=59-42-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(R)-(-)-Phenylephrine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(R)-3-[1-Hydroxy-2-(methylamino)ethyl]phenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=59-42-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(R)-Phenylephrine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=59-42-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(αR)-3-Hydroxy-α-[(methylamino)methyl]benzenemethanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=59-42-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Benzenemethanol, 3-hydroxy-.alpha.-[(methylamino)methyl]-, (R)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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          "http://purl.obolibrary.org/obo/CHEBI_8093"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Benzenemethanol, 3-hydroxy-alpha-((methylamino)methyl)-, (R)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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          "http://purl.obolibrary.org/obo/CHEBI_8093"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Benzenemethanol, 3-hydroxy-α-[(methylamino)methyl]-, (R)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=59-42-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenemethanol, 3-hydroxy-α-[(methylamino)methyl]-, (αR)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:59-42-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=59-42-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzyl alcohol, m-hydroxy-alpha-((methylamino)methyl)-, (-)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_8093"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Benzyl alcohol, m-hydroxy-α-[(methylamino)methyl]-, (-)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:59-42-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=59-42-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "fenilefrina",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_8093"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Iriphrin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:59-42-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=59-42-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "l-(3-Hydroxyphenyl)-N-methylethanolamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_8093"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "l-m-Hydroxy-α-[(methylamino)methyl]benzyl alcohol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:59-42-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=59-42-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "L-Phenylephedrine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:59-42-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=59-42-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "l-Phenylephrine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:59-42-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=59-42-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "m-Methylaminoethanolphenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:59-42-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=59-42-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "m-Oxedrine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:59-42-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=59-42-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "m-Sympathol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:59-42-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=59-42-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "m-Synephrine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:59-42-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=59-42-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Mesaton",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:59-42-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=59-42-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Mesatone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:59-42-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=59-42-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
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