Consensus flow list

Identity

Type
Neutral molecule
CAS
57-97-6
EC
200-359-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 7,12-dimethylbenz[a]anthracene

Alternative labels

17

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string ARSRBNBHOADGJU-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C20H16/c1-13-16-8-5-6-9-17(16)14(2)20-18(13)12-11-15-7-3-4-10-19(15)20/h3-12H,1-2H3
IUPAC name chemrof:IUPAC_name 7,12-dimethylbenz[a]anthracene
Molecular formula chemrof:molecular_formula C20H16
Molecular mass chemrof:molecular_mass 256.348
Monoisotopic mass chemrof:monoisotopic_mass 256.1252, 256.125201
SMILES string chemrof:smiles_string Cc1c2ccccc2c(C)c2c1ccc1ccccc12

Known URLs

24

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:1912135 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=57-97-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:254496 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.000.326 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1020510 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=408823 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL329673 enrich_references.pubchem_identifier_url
gmelin gmelin:263937 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/F05B6S0395 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0062429 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.919D enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C19488 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C19488 enrich_references.pubchem_identifier_url
lincs.smallmolecule lincs.smallmolecule:LSM-37159 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=52742 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C197 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6001 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/11488430 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/12839762 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16020197 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18992763 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/7561049 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q187487 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/7,12-Dimethylbenz(a)anthracene enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d86c88c9-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
08a91e70-3ddc-11dd-9c93-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
db2e48fa-3b61-4844-8a74-017ad650ba7e Environmental → Air → Indoor EF 3.1 kg 2
08a91e70-3ddc-11dd-9c92-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9c94-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
08a91e70-3ddc-11dd-9c91-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 2
08a91e70-3ddc-11dd-9c8f-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 2
08a91e70-3ddc-11dd-9c98-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 2
08a91e70-3ddc-11dd-9c90-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 2
08a91e70-3ddc-11dd-9c96-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9c99-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 2
08a91e70-3ddc-11dd-9c95-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 2
08a91e70-3ddc-11dd-9c97-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
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