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2-phenylethanol

fo-950eb9408c599d56

Identity

Type
Neutral molecule
CAS
60-12-8
EC
200-456-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for 2-phenylethanol

What it is used for

1

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
plant growth regulator CHEBI:26155 A chemical, natural or artificial, that can affect the rate of growth of a plant. ChEBI

Alternative labels

33

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string WRMNZCZEMHIOCP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
IUPAC name chemrof:IUPAC_name 2-phenylethanol
Molecular formula chemrof:molecular_formula C8H10O
Molecular mass chemrof:molecular_mass 122.167
Monoisotopic mass chemrof:monoisotopic_mass 122.07316, 122.073165
SMILES string chemrof:smiles_string OCCc1ccccc1

Known URLs

38

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:1905732 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=60-12-8 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:49000 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.000.415 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0936 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9026342 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB02192 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB02192 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=406252 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=759116 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL448500 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/phenethyl-alcohol enrich_references.pubchem_identifier_url
gmelin gmelin:240469 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/ML9LGA7468 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0033944 enrich_references.chebi_xrefs
hts.usitc.gov https://hts.usitc.gov/search?query=2906.29.10.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.924K enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C05853 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D00192 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C05853 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D00192 enrich_references.pubchem_identifier_url
knapsack knapsack:C00002663 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=46296 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-7035 enrich_references.chebi_xrefs
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C77399 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:PEL enrich_references.chebi_xrefs
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL448500 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6054 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2810 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/19517523 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22690913 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23385159 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23836015 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24423498 enrich_references.chebi_xrefs
reaxys reaxys:1905732 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/8126 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q209463 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Phenethyl_alcohol enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
800dd16b-433e-4919-bf58-a3eb7de39e2e Environmental → Air → Aircraft cruise height EF 3.1 kg 2
20457ad6-6974-4816-a254-462ebe6a7522 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
b280ee75-3613-46ad-9194-5dc409187476 Environmental → Air → Indoor EF 3.1 kg 2
43d7e8ea-5907-484e-86ef-2159aa319d8e Environmental → Air → Long-term EF 3.1 kg 0
3d945176-4b4a-4bda-8c0d-193a0392e084 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
631a00a8-659b-443b-ac20-ddf44cfaab41 Environmental → Air → Unknown EF 3.1 kg 2
81af237a-0761-47cc-800e-90f515a0ead0 Environmental → Ground → Agricultural EF 3.1 kg 2
dabad1b9-d910-4329-a171-78805c374fd8 Environmental → Ground → Non-agricultural EF 3.1 kg 2
2ede2a16-042b-4b0a-a861-76a62c7586cd Environmental → Ground → Unknown EF 3.1 kg 2
92da1a68-af15-4611-b339-cc3277768739 Environmental → Water → Long-term EF 3.1 kg 0
295846e3-058a-4ba2-af66-c2056639cced Environmental → Water → Ocean EF 3.1 kg 2
541487b3-394b-4689-ba70-3bc8663086ea Environmental → Water → Surface water EF 3.1 kg 2
7d2ca862-9cf0-4221-b94a-e7cc761ee90b Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-950eb9408c599d56",
  "prefLabel": [
    {
      "@value": "2-phenylethanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
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  ],
  "altLabel": [
    {
      "@value": "(2-Hydroxyethyl)benzene",
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          "https://commonchemistry.cas.org/detail?cas_rn=60-12-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Hydroxyethylbenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-PEA",
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      "provenance": {
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          "http://purl.obolibrary.org/obo/CHEBI_49000"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-Phenethanol",
      "@language": "en",
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Phenethyl alcohol",
      "@language": "en",
      "@lang": "en",
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          "https://commonchemistry.cas.org/detail?cas_rn=60-12-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Phenyl-1-ethanol",
      "@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": "2-PHENYL-ETHANOL",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-Phenylethyl alcohol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzeneethanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Benzyl carbinol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=60-12-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzylmethanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "beta-PEA",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_49000"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "beta-Phenethyl alcohol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "beta-Phenylethanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_49000"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "beta-Phenylethyl alcohol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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      }
    },
    {
      "@value": "Dermosoft PEA",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-12-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethanol, 2-phenyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-12-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "MeSH ID: D010626",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:60-12-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-12-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methyl 3-[(4-Chlorobenzyl)oxy]-4-iodobenzoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:60-12-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-12-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Microcare PEA",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:60-12-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-12-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "PEA",
      "@language": "en",
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        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-12-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phenethanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:60-12-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-12-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phenethyl alcohol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_49000"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Phenethylol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:60-12-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-12-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phenylethanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:60-12-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-12-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phenylethyl alcohol",
      "@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_49000"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "β-(Hydroxyethyl)benzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:60-12-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-12-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "β-PEA",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:60-12-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-12-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "β-Phenethanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-12-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "β-Phenethyl alcohol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-12-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "β-Phenethylol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-12-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "β-Phenylethanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-12-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "β-Phenylethyl alcohol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:60-12-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-12-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C8H10O"
      ],
      "attested_by": {
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        ],
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    },
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    {
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        "prov:wasDerivedFrom": "chebi.xrefs_urls"
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  ],
  "created_from": {
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    "seed_uuid": "20457ad6-6974-4816-a254-462ebe6a7522",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
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        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
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        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
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      "@value": [
        "60-12-8"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=60-12-8"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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        }
      ],
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        ],
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      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "200-456-2"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=200-456-2"
      ],
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "http://www.w3.org/2004/02/skos/core#definition": [
    {
      "@value": "A primary alcohol that is ethanol substituted by a phenyl group at position 2.",
      "@language": "en",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_definition",
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  ],
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    {
      "@id": "http://purl.obolibrary.org/obo/CHEBI_26155",
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        ],
        "prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
      }
    }
  ]
}

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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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