Consensus flow list

Identity

Substance
fo-c70ac873e1dc9bc8 NeutralMolecule
Source
EF 3.1
Unit
kg
Context
Environmental → Ground → Unknown
CAS
21259-20-1
EC
244-297-7

Context

Dimension
Environmental
Geography
Unknown
Media
Ground

Alternative labels

25

Source lists

1
List Version Source flow Name there Why this flow
EF 3.1 040f1b1d-57c6-4b0b-8f5f-52b973d62d5a (3α,4β,8α)-12,13-epoxytrichothec-9-ene-3,4,8,15-tetrol 4,15-diacetate 8-(3-methylbutyrate) 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 040f1b1d-57c6-4b0b-8f5f-52b973d62d5a (3α,4β,8α)-12,13-epoxytrichothec-9-ene-3,4,8,15-tetrol 4,15-diacetate 8-(3-methylbutyrate) Emissions/Emissions to soil/Emissions to soil, unspecified exactMatch

Characterisation factors

8

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 153,410
EF 3.1 consensus-flow-list Ecotoxicity, freshwater 153,410 sole
EF 3.1 European Commission — JRC Ecotoxicity, freshwater_organics 153,410
EF 3.1 consensus-flow-list Ecotoxicity, freshwater_organics 153,410 sole
EF 3.1 European Commission — JRC Human toxicity, cancer 8.0375e-05
EF 3.1 consensus-flow-list Human toxicity, cancer 8.0375e-05 sole
EF 3.1 European Commission — JRC Human toxicity, cancer_organics 8.0375e-05
EF 3.1 consensus-flow-list Human toxicity, cancer_organics 8.0375e-05 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": "(3alpha,4beta,8alpha)-12,13-epoxy-4,15-diacetate 8-(3-methylbutanoate)trichothec-9-ene-3,4,8,15-tetrol",
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          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "3-hydroxy-4,15-diacetoxy-8-(3-methylbutyryloxy)-12,13-epoxy-delta-9-trichothecene",
      "@language": "en",
      "source": {
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          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "4beta,15-bis(acetyloxy)-3alpha-hydroxy-12,13-epoxytrichothec-9-en-8alpha-yl 3-methylbutanoate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "4beta,15-diacetoxy-3alpha-hydroxy-8alpha-(3-methylbutyryloxy)-12,13-epoxytrichothec-9-ene",
      "@language": "en",
      "source": {
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          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "T-2 mycotoxin",
      "@language": "en",
      "source": {
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          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "T2 toxin",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "T2-trichothecene",
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      "source": {
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          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "fusariotoxin T 2",
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        ],
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      }
    },
    {
      "@value": "fusariotoxin T-2",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "fusariotoxine T2",
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          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "insariotoxin",
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        ],
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    },
    {
      "@value": "isaritoxin",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "mycotoxin T-2",
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    },
    {
      "@value": "toxin T2",
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    },
    {
      "@value": "4β,15-Diacetoxy-8α-(3-methylbutyryloxy)-12,13-epoxytrichothec-9-en-3α-ol",
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    },
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      "@value": "8α-(3-Methylbutyryloxy)-4β,15-diacetoxyscirp-9-en-3α-ol",
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    },
    {
      "@value": "MeSH ID: D013605",
      "@language": "en",
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    },
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      "@value": "Mycotoxin T 2",
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        ],
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      "@value": "Spiro[2,5-methano-1-benzoxepin-10,2′-oxirane], trichothec-9-ene-3,4,8,15-tetrol deriv.",
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    },
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      "@value": "T 2 Toxin",
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    },
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      }
    },
    {
      "@value": "T-2 Lienomycin",
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  "properties": {
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  "_provided": {
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    "synonyms": [
      "(3alpha,4beta,8alpha)-12,13-Epoxytrichothec-9-ene-3,4,8,15-tetrol 4,15-diacetate 8-(3-methylbutyrate)",
      "(3alpha,4beta,8alpha)-4,15-bis(acetyloxy)-3-hydroxy-12,13-epoxytrichothec-9-en-8-yl 3-methylbutanoate",
      "12,13-Epoxytrichothec-9-ene-3,4,8,15-tetrol 4,15-diacetate 8-(3-methylbutanoate)",
      "12,13-Epoxytrichothec-9-ene-3-alpha,4-beta,8-alpha,15-tetrol 4,15-diacetate 8-isovalerate",
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      "3-Hydroxy-4,15-diacetoxy-8-(3-methylbutyryloxy)-12,13-epoxy-delta(sup 9)-trichothecene",
      "3-Hydroxy-4,15-diacetoxy-8-(3-methylbutyryloxy)-12,13-epoxy-delta-9-trichothecene",
      "3alpha,4beta,8alpha)-12,13-Epoxytrichothec-9-ene-3,4,8,15-tetrol 4,15-diacetate 8-(3-methylbutyrate)",
      "3alpha-Hydroxy-4beta-15-diacetoxy-8alpha-(3-methylbutyryloxy)-12,13-epoxy-delta9-tricothecene",
      "4,15-Diacetoxy-8-(3-methylbutyryloxy)-12,13-epoxy-delta-9-trichothecen-3-ol",
      "4,15-Diacetoxy-8-(3-methylbutyryloxy)scirp-9-en-3-ol",
      "4-beta,15-Diacetoxy-8-alpha-(3-methylbutyryloxy)-3-alpha-hydroxy-12,13-epoxytrichothec-9-ene",
      "8-(3-Methylbutyryloxy)-diacetoxyscirpenol",
      "8alpha-(3-Methylbutyryloxy)-4beta,15-diacetoxyscirp-9-en-3alpha-ol",
      "AC1L1JSM",
      "Fusariotoxin T 2",
      "Fusariotoxine T2",
      "Insariotoxin",
      "Isaritoxin",
      "Mycotoxin T-2",
      "Scirpenol, 8-(3-methylbutyryloxy)-diacetoxy-",
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      "T-2 TOXIN",
      "T2-Trichothecene",
      "Toxin T2",
      "Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 4,15-diacetate 8-(3-methylbutanoate), (3alpha,4beta,8alpha)-",
      "Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 4,15-diacetate 8-(3-methylbutanoate), (3alpha,4beta,8alpha)- (9CI)",
      "Trichothec-9-ene-3-alpha,4-beta,8-alpha,15-tetrol, 12,13-epoxy-, 4,15-diacetate 8-isovalerate",
      "Trichothec-9-ene-3alpha,4beta,8alpha,15-tetrol, 12,13-epoxy-, 4,15-diacetate 8-isovalerate",
      "Trichothec-9-ene-3alpha,4beta,8alpha,15-tetrol, 12,13-epoxy-, 4,15-diacetate 8-isovalerate (8CI)"
    ],
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      "Emissions to soil",
      "Emissions to soil, unspecified"
    ],
    "cas_numbers": [
      "21259-20-1"
    ],
    "ec_numbers": [
      "244-297-7"
    ],
    "unit": "kg"
  }
}

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