Consensus flow list

Phorone

fo-ac11c18bd979b051

Identity

Type
Neutral molecule
CAS
504-20-1
EC
207-986-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Phorone

Alternative labels

8

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string MTZWHHIREPJPTG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H14O/c1-7(2)5-9(10)6-8(3)4/h5-6H,1-4H3
IUPAC name chemrof:IUPAC_name Phorone
Molecular formula chemrof:molecular_formula C9H14O
Molecular mass chemrof:molecular_mass 138.21
Monoisotopic mass chemrof:monoisotopic_mass 138.104465, 138.10447
SMILES string chemrof:smiles_string CC(C)=CC(=O)C=C(C)C

Known URLs

16

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=504-20-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:35572 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.007.261 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1157 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1021584 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=38718 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=403517 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2766015 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8F20OEI0MV enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0245519 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.072J enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=55144 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/10438 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1993 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q612199 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Phorone enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
dcbf4b5a-f524-4a32-b4e3-63c660cd630c Environmental → Air → Aircraft cruise height EF 3.1 kg 2
7bafd3e5-bd21-44be-9d25-d74a1ce307f5 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
bfeb5f62-4617-4b3b-82a8-35d98cebe6c3 Environmental → Air → Indoor EF 3.1 kg 2
31d1db28-bb35-40b7-ba84-d7054996aa8e Environmental → Air → Long-term EF 3.1 kg 0
fae1f16c-69f0-4b95-9a9c-4accf9ebfa96 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
cf3fbdc0-a306-4209-8cad-8aed0aeaf1b5 Environmental → Air → Unknown EF 3.1 kg 2
e63a491c-97d1-44bb-8b54-cd6ab156acb2 Environmental → Ground → Agricultural EF 3.1 kg 2
87dade22-bc71-400a-9a1e-df71d017977b Environmental → Ground → Non-agricultural EF 3.1 kg 2
fc569555-ef7f-4f54-8769-0fe9b672929b Environmental → Ground → Unknown EF 3.1 kg 2
ebd31cda-6e1b-4d78-989b-9185175f3ae1 Environmental → Water → Long-term EF 3.1 kg 0
04c5e596-54ef-44c2-9e2e-87997cf96d4e Environmental → Water → Ocean EF 3.1 kg 2
118e3a31-dde4-499d-93ea-708e75de3051 Environmental → Water → Surface water EF 3.1 kg 2
a4945150-ebb9-496a-bfb1-10403cd56cfc Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-ac11c18bd979b051",
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        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
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  "altLabel": [
    {
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    },
    {
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