Consensus flow list

Identity

Type
NeutralMolecule
CAS
120-57-0
EC
204-409-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 1,3-benzodioxole-5-carbaldehyde

What it is used for

2

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
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

23

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string SATCULPHIDQDRE-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2
IUPAC name chemrof:IUPAC_name 1,3-benzodioxole-5-carbaldehyde
Molecular formula chemrof:molecular_formula C8H6O3
Molecular mass chemrof:molecular_mass 150.133
Monoisotopic mass chemrof:monoisotopic_mass 150.03169, 150.031694
SMILES string chemrof:smiles_string O=Cc1ccc2c(c1)OCO2

Known URLs

29

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=120-57-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:8240 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.004.009 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7025924 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=26826 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL271663 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/piperonal enrich_references.pubchem_identifier_url
gmelin gmelin:4186 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/KE109YAK00 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0032612 enrich_references.chebi_xrefs
hts.usitc.gov https://hts.usitc.gov/search?query=2932.93.00.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.919J enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C10812 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C10812 enrich_references.pubchem_identifier_url
knapsack knapsack:C00002666 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=45651 enrich_references.pubchem_identifier_url
patent patent:EP0429316 enrich_references.chebi_xrefs
patent patent:EP1253147 enrich_references.chebi_xrefs
patent patent:WO0157016 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8438 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=579230 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/21854175 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23711775 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/6730989 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/8308845 enrich_references.chebi_xrefs
reaxys reaxys:131691 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/33753 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q418985 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Piperonal enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
3beb4f60-103a-4286-898c-65380c0715ae Environmental → Air → Aircraft cruise height EF 3.1 kg 4
7903bfcc-3678-4369-a87b-1509e64ef2f8 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
d0ffadd2-b24b-464d-a461-5de56b0ddc47 Environmental → Air → Indoor EF 3.1 kg 4
194bec9b-5870-4f24-baf3-160904460f22 Environmental → Air → Long-term EF 3.1 kg 0
5c1be090-3e9a-43f5-9245-c4c00cbdeab5 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
e30e7ecc-962c-43b2-9f86-6a954ba7ab1a Environmental → Air → Unknown EF 3.1 kg 4
e7992149-4d00-40a1-b73d-b227a87df876 Environmental → Ground → Agricultural EF 3.1 kg 4
8816f479-99a2-4101-b939-f6fe43ab56bc Environmental → Ground → Non-agricultural EF 3.1 kg 4
20bccd1c-b819-443a-b492-40cdffc2b079 Environmental → Ground → Unknown EF 3.1 kg 4
8c3369fa-d73f-450b-aaa1-fba1e10318de Environmental → Water → Long-term EF 3.1 kg 0
bd1e507c-2879-469c-bb05-db22b6d0ad7b Environmental → Water → Ocean EF 3.1 kg 4
b9012e45-7361-4c32-8587-64a9a923199c Environmental → Water → Surface water EF 3.1 kg 4
a43a39c2-17e3-4f5e-8346-70d4276ec469 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-3d8fa3f38f802142",
  "prefLabel": [
    {
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  ],
  "altLabel": [
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    },
    {
      "@value": "2H-1,3-Benzodioxole-5-carbaldehyde",
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    },
    {
      "@value": "2H-1,3-Benzodioxole-5-carboxaldehyde",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2H-Benzo[3,4-d]-1,3-dioxolan-5-ylformaldehyde",
      "@language": "en",
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      }
    },
    {
      "@value": "3,4-(methylenedioxy)benzaldehyde",
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    },
    {
      "@value": "3,4-dihydroxybenzaldehyde methylene ketal",
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "3,4-Dimethylenedioxybenzaldehyde",
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    },
    {
      "@value": "3,4-methylenedioxybenzaldehyde",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "5-Formyl-1,3-benzodioxolane",
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    },
    {
      "@value": "5-formyl-1,3-benzodioxole",
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    },
    {
      "@value": "5-Formylbenzodioxole",
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        ],
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      }
    },
    {
      "@value": "Benzo[1,3]dioxole-5-carbaldehyde",
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      }
    },
    {
      "@value": "Benzo[d][1,3]dioxol-5-carboxaldehyde",
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    },
    {
      "@value": "Benzo[d][1,3]dioxole-5-carbaldehyde",
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      }
    },
    {
      "@value": "Benzo[d][1,3]dioxole-5-carboxaldehyde",
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          "https://commonchemistry.cas.org/detail?cas_rn=120-57-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Geliotropin",
      "@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=120-57-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "heliotropin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "heliotropine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Piperonal",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "piperonaldehyde",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "http://purl.obolibrary.org/obo/CHEBI_8240"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "piperonyl aldehyde",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_8240"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "piperonylaldehyde",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "protocatechuic aldehyde methylene ether",
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  ],
  "properties": {
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