Consensus flow list

Identity

Type
NeutralMolecule
CAS
148477-71-8
EC
604-636-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Spirodiclofen

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
acaricide CHEBI:22153 A substance used to destroy pests of the subclass Acari (mites and ticks). 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

4

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string DTDSAWVUFPGDMX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C21H24Cl2O4/c1-4-20(2,3)19(25)26-17-16(14-9-8-13(22)12-15(14)23)18(24)27-21(17)10-6-5-7-11-21/h8-9,12H,4-7,10-11H2,1-3H3
IUPAC name chemrof:IUPAC_name 3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl 2,2-dimethylbutanoate
Molecular formula chemrof:molecular_formula C21H24Cl2O4
Molecular mass chemrof:molecular_mass 411.325
Monoisotopic mass chemrof:monoisotopic_mass 410.10516, 410.105165
SMILES string chemrof:smiles_string CCC(C)(C)C(=O)OC1=C(c2ccc(Cl)cc2Cl)C(=O)OC12CCCCC2

Known URLs

15

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:9660994 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=148477-71-8 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:38639 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.130.204 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6034928 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2227839 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3X7G31F5MX enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.571.716E enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18553 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18553 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=55947 enrich_references.pubchem_identifier_url
ppdb ppdb:597 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/177863 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q425807 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Spirodiclofen enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
2c258424-dbac-4055-a230-a62639044a2b Environmental → Air → Aircraft cruise height EF 3.1 kg 4
bdc38ce9-318a-4e88-834d-e544a713a203 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
0dcf4253-a06b-4923-a843-d062be5d2100 Environmental → Air → Indoor EF 3.1 kg 4
d45a2623-36f6-41a2-9a53-ab719512b98a Environmental → Air → Long-term EF 3.1 kg 0
567d34de-55f4-4bd0-a101-e25127315448 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
36c13fed-f566-46e8-bbb8-21c8a1910fdb Environmental → Air → Unknown EF 3.1 kg 4
06f73ad6-2034-4bd1-85a3-b5f32f48f86a Environmental → Ground → Agricultural EF 3.1 kg 4
19b460a4-6314-4d3b-8453-82edf43bbb08 Environmental → Ground → Non-agricultural EF 3.1 kg 4
de9fc31f7ea1cfceec389230504fa52fb07adfea Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
9fd50c75-ac41-47e3-b67c-b29e191a7eee Environmental → Ground → Unknown EF 3.1 kg 4
99a8f669-4b59-46d5-9d83-b83948a85325 Environmental → Water → Long-term EF 3.1 kg 0
86b538f2-a2dd-4396-b996-4f79fdefe1fc Environmental → Water → Ocean EF 3.1 kg 4
8eada03c-f673-4853-9fda-22239717cddf Environmental → Water → Surface water EF 3.1 kg 4
5961b877-b75b-4e75-bd9a-f67f38b8d839 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON
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  "flow_object_id": "fo-883b66d701fbb925",
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