Consensus flow list

Identity

Substance
fo-29226426d915e5a2 Neutral molecule
Source
EF 3.1
Unit
kg
Context
Environmental → Ground → Non-agricultural
CAS
934841-33-5
EC
700-317-0

Context

Dimension
Environmental
Geography
Non-agricultural
Media
Ground

Alternative labels

2

Source lists

1
List Version Source flow Name there Why this flow
EF 3.1 b6e84ea7-00d5-441e-89d8-e9fb88391e95 tert-butyl {(1s,3s)-3-{(s)- hydroxy[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-4-methyl-1-[ (2s,4s)-5-oxo-4-(propan-2-yl)tetrahydrofuran-2-yl ]pentyl}carbamate The consensus list is built from this one, so this row is the flow itself rather than something matched to it.

Concept associations

1
Source list Source flow Name there Compartment there Match Conversion
EF 3.1 b6e84ea7-00d5-441e-89d8-e9fb88391e95 tert-butyl {(1s,3s)-3-{(s)- hydroxy[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-4-methyl-1-[ (2s,4s)-5-oxo-4-(propan-2-yl)tetrahydrofuran-2-yl ]pentyl}carbamate Emissions/Emissions to soil/Emissions to non-agricultural soil exactMatch

Characterisation factors

4

Every implementation that says anything about this flow. Published as is what this list did with the row: where more than one implementation states a number and they agree it publishes it as agreed; where only one speaks, as sole; where they disagree it publishes nothing and asks.

Method Implementation Category Place Factor Published as
EF 3.1 European Commission — JRC Ecotoxicity, freshwater 2.6008
EF 3.1 consensus-flow-list Ecotoxicity, freshwater 2.6008 sole
EF 3.1 European Commission — JRC Ecotoxicity, freshwater_organics 2.6008
EF 3.1 consensus-flow-list Ecotoxicity, freshwater_organics 2.6008 sole

This flow in the difference report

History

The change log and the PROV-O trail (2 consensus changes)

Open the changes page

These are the heaviest sections of this page and the least often read, so the page does not pay for them until you ask.

Full record

Flow JSON
{
  "altLabel": [
    {
      "@value": "1,1-Dimethylethyl N-[(1S,3S)-3-[hydroxy[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-[(2S,4S)-tetrahydro-4-(1-methylethyl)-5-oxo-2-furanyl]pentyl]carbamate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:934841-33-5",
          "https://commonchemistry.cas.org/detail?cas_rn=934841-33-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Carbamic acid, N-[(1S,3S)-3-[hydroxy[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-[(2S,4S)-tetrahydro-4-(1-methylethyl)-5-oxo-2-furanyl]pentyl]-, 1,1-dimethylethyl ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:934841-33-5",
          "https://commonchemistry.cas.org/detail?cas_rn=934841-33-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C30H49NO8"
      ],
      "attested_by": {
        "C30H49NO8": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:59426811"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COCCCOc1cc(C(O)[C@@H](C[C@H](NC(=O)OC(C)(C)C)[C@@H]2C[C@@H](C(C)C)C(=O)O2)C(C)C)ccc1OC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "LNEJMHYXEHINSY-KTEHOTQVSA-N"
      ],
      "attested_by": {
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      "rdfs:label": "InChIKey",
      "provenance": [
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        },
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          ]
        }
      ]
    },
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      "rdfs:label": "SMILES",
      "@value": [
        "COCCCOc1cc(C(O)C(CC(NC(=O)OC(C)(C)C)C2CC(C(C)C)C(=O)O2)C(C)C)ccc1OC"
      ],
      "provenance": [
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          ]
        },
        {
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          ]
        },
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          ],
          "prov:wasDerivedFrom": "smiles_string.stereochemistry_removed"
        }
      ],
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    },
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      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C30H49NO8/c1-18(2)21(27(32)20-11-12-24(36-9)26(15-20)37-14-10-13-35-8)16-23(31-29(34)39-30(5,6)7)25-17-22(19(3)4)28(33)38-25/h11-12,15,18-19,21-23,25,27,32H,10,13-14,16-17H2,1-9H3,(H,31,34)/t21-,22-,23-,25-,27?/m0/s1"
      ],
      "provenance": [
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          ]
        },
        {
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          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C30H49NO8/c1-18(2)21(27(32)20-11-12-24(36-9)26(15-20)37-14-10-13-35-8)16-23(31-29(34)39-30(5,6)7)25-17-22(19(3)4)28(33)38-25/h11-12,15,18-19,21-23,25,27,32H,10,13-14,16-17H2,1-9H3,(H,31,34)/t21-,22-,23-,25-,27?/m0/s1": [
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          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "1,1-Dimethylethyl N-[(1S,3S)-3-[hydroxy[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-[(2S,4S)-tetrahydro-4-(1-methylethyl)-5-oxo-2-furanyl]pentyl]carbamate"
      ],
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ]
      },
      "attested_by": {
        "1,1-Dimethylethyl N-[(1S,3S)-3-[hydroxy[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-[(2S,4S)-tetrahydro-4-(1-methylethyl)-5-oxo-2-furanyl]pentyl]carbamate": [
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        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        551.721
      ],
      "provenance": [
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          ]
        },
        {
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      ],
      "attested_by": {
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    },
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      ],
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          ]
        },
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  },
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  ],
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      "@value": "Tert-butyl {(1s,3s)-3-{(s)- Hydroxy[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-4-methyl-1-[ (2s,4s)-5-oxo-4-(propan-2-yl)tetrahydrofuran-2-yl ]pentyl}carbamate",
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
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  "@type": [
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  "uuid": "b6e84ea7-00d5-441e-89d8-e9fb88391e95",
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  "ec_numbers": [
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    "dimension": "Environmental",
    "media": "Ground",
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  "synonyms": [],
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      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 2.6008
    },
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      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 2.6008
    }
  ],
  "unit": "kg",
  "input_datasets": [
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  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-grou-noag",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
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        "qudt:hasUnit": {
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    "unit_iri": "unit_normalization",
    "properties": "link_flows_to_their_substance",
    "skos_definition": "enrich_references",
    "references": "enrich_references",
    "altLabel": "dedupe_altlabels",
    "cas_match_labels": "consensus_match",
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  "_transformed": true,
  "_provided": {
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    ],
    "ec_numbers": [
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    ],
    "unit": "kg"
  }
}

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