Consensus flow list

Bioresmethrin

fo-aefd595132abe584

Identity

Type
NeutralMolecule
CAS
28434-01-7
EC
249-014-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for Bioresmethrin

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

What it is used for

3

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
agrochemical CHEBI:33286 An agrochemical is a substance that is used in agriculture or horticulture. ChEBI
insecticide CHEBI:24852 Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. ChEBI
pesticide CHEBI:25944 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. ChEBI

Alternative labels

21

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string VEMKTZHHVJILDY-UXHICEINSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C22H26O3/c1-15(2)10-19-20(22(19,3)4)21(23)25-14-17-12-18(24-13-17)11-16-8-6-5-7-9-16/h5-10,12-13,19-20H,11,14H2,1-4H3/t19-,20+/m1/s1
Isomeric SMILES string chemrof:isomeric_smiles_string CC(C)=C[C@@H]1[C@@H](C(=O)OCc2coc(Cc3ccccc3)c2)C1(C)C
IUPAC name chemrof:IUPAC_name (5-benzylfuran-3-yl)methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate
Molecular formula chemrof:molecular_formula C22H26O3
Molecular mass chemrof:molecular_mass 338.447
Monoisotopic mass chemrof:monoisotopic_mass 338.18819, 338.188195
SMILES string chemrof:smiles_string CC(C)=CC1C(C(=O)OCc2coc(Cc3ccccc3)c2)C1(C)C

Known URLs

18

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=28434-01-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:39280 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.044.543 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0229 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2034382 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2106605 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8535H601Y7 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/YPP8YQZ13B enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J250.716A enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C16810 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C16810 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=144224 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=56217 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C74338 enrich_references.pubchem_identifier_url
ppdb ppdb:81 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/162381 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3352 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q2488722 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
59be32b6-ca41-4b3d-8b4c-434fc4bf5ee3 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
e957c055-8450-468a-8b0d-e8ecfed270eb Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
12f8a8f3-304d-4fa3-bff7-7de2fe98ed88 Environmental → Air → Indoor EF 3.1 kg 4
776ba93a-ebe5-48c5-96d9-7cc0d360d9f3 Environmental → Air → Long-term EF 3.1 kg 0
e103e929-8398-4c47-aef4-fb5789da1480 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
486bb278-7998-4ebd-b5f1-0a801995f516 Environmental → Air → Unknown EF 3.1 kg 4
3be5babb-8a8b-4d99-a383-7d3b764a33cb Environmental → Ground → Agricultural EF 3.1 kg 4
1347f380-fd4b-4387-b73d-092bb8baecc0 Environmental → Ground → Non-agricultural EF 3.1 kg 4
56d01df2e012751f7ec739443d41323278a4acab Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
8521916f-64c1-4bd4-9487-febd661d657f Environmental → Ground → Unknown EF 3.1 kg 4
c1dcc884-3327-41c5-abf5-72b0106b24b8 Environmental → Water → Long-term EF 3.1 kg 0
bb875733-d7e9-4b52-b5f3-5e78bf1e0a36 Environmental → Water → Ocean EF 3.1 kg 4
654c026e-edf5-4dde-b012-d6784eafbf41 Environmental → Water → Surface water EF 3.1 kg 4
5e350c7f-d695-425f-8bf5-a144fa88e161 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (59 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-aefd595132abe584",
  "prefLabel": [
    {
      "@value": "Bioresmethrin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(+)-trans-Bioresmethrin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=28434-01-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(+)-trans-Resmethrin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(5-benzylfuran-3-yl)methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1R-trans-Resemethrin",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "3-Furanmethanol, 5-benzyl-, 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate, trans-(+)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "5-Benzyl-3-furylmethyl (+)-trans-chrysanthemate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "5-Benzyl-3-furylmethyl (1R)-trans-chrysanthemate",
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      }
    },
    {
      "@value": "AI 3-27662",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Biobenzyfuroline",
      "@language": "en",
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      "provenance": {
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      }
    },
    {
      "@value": "Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, [5-(phenylmethyl)-3-furanyl]methyl ester, (1R,3R)-",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, [5-(phenylmethyl)-3-furanyl]methyl ester, (1R,3R)-",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, [5-(phenylmethyl)-3-furanyl]methyl ester, (1R-trans)-",
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        ],
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      }
    },
    {
      "@value": "Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, (5-benzyl-3-furyl)methyl ester, trans-(+)-",
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        ],
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      }
    },
    {
      "@value": "d-trans-(5-Benzyl-3-furyl)methyl chrysanthemate",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "d-trans-[(5-Benzyl-3-furyl)methyl] chrysanthemumate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "d-trans-Chrysron",
      "@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": "d-trans-Resmethrin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=28434-01-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Isathrine",
      "@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": "Isatrin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=28434-01-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Pyrethroid NRDC 107",
      "@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": "Resbuthrin",
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      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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  ],
  "properties": {
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        "C22H26O3"
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