2,6-Dinitrotoluene
Everything that changed this flow. Back to the flow
4d9a8790-3ddd-11dd-9cbb-0050c2490048
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | typed the way the ontology types it |
| altLabel | 3 | chebi_altlabels, consensus_match | group_key=2,6-dintrotoluene||dimension=Environmental > media=Ground > geography=Unknown; cas=606-20-2; added Common Chemistry CAS names as altLabel: Benzene, 2-methyl-1,3-dinitro-, Toluene, 2,6-dinitro-; object_uuid=fo-fb28f84854cc23ad |
| prefLabel | 2 | bootstrap_labels, consensus_match | cas=606-20-2; cc_chebi_agreed_name='2,6-Dinitrotoluene'; object_uuid=fo-fb28f84854cc23ad |
| cas_match_labels | 1 | consensus_match | group_key=2,6-dintrotoluene||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory']; cas_sources={'606-20-2': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-fb28f84854cc23ad: {'606-20-2': 'exactMatch'} |
| concept_associations | 1 | carry_associations_onto_flows | associations resolved on the elementary layer |
| context | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['606-20-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_957']; candidate_pubchem_cids=[11813, 1506457]; selected_pubchem_cids=[11813]; formula_similarity_expected=[]; pubchem_selection_rule=curated_cas_then_formula_similarity_then_prefer_chebi_aligned_when_unambiguous_else_keep_all_cas_matches; single_cas_commonchem_link=yes |
| skos_definition | 1 | enrich_references | Merged ChEBI/PubChem definitions into skos:definition |
| synonyms | 1 | bootstrap_labels | Removed legacy synonyms field in favor of structured labels |
| types | 1 | link_flows_to_their_substance | the substance's answer, copied onto its flow |
| unit_iri | 1 | unit_normalization | Unit IRI set from normalization of 'kg' |
Where several steps wrote one field, the last one won — and the log below shows the sequence.
Changes
20| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 6,726 | bootstrap_labels | prefLabel | — | [{"@value":"2,6-dintrotoluene","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedT… | Bootstrapped prefLabel from legacy name field |
| 6,727 | bootstrap_labels | name | 2,6-dintrotoluene | — | Purged legacy name field to enforce prefLabel usage |
| 6,728 | bootstrap_labels | synonyms | ["1,3-Dinitro 2-methyl benzene","1-Methyl-2,6-dinitrobenzene","2,4-/2,6-Dinitrotoluene mixture","2,6-DINITROTOLUENE","2… | [] | Removed legacy synonyms field in favor of structured labels |
| 95,506 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Non-agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 95,507 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-noag | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 215,584 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 233,633 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H6N2O4"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 233,634 | enrich_references | skos_definition | — | [{"@value":"A dinitrotoluene carrying nitro substituents at positions 2 and 6.","@language":"en","provenance":{"prov:wa… | Merged ChEBI/PubChem definitions into skos:definition |
| 233,635 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.076A","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['606-20-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_957']; candidate_pubchem_cids=[11813, 1506457]; selected_pubchem_cids=[11813]; formula_similarity_expected=[]; pubchem_selection_rule=curated_cas_then_formula_similarity_then_prefer_chebi_aligned_when_unambiguous_else_keep_all_cas_matches; single_cas_commonchem_link=yes |
| 250,178 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H6N2O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H6N2O4"]… | rdkit_pre_consensus from 'CC1=C(C=CC=C1[N+](=O)[O-])[N+](=O)[O-]'; added: monoisotopic_mass |
| 255,209 | chebi_altlabels | altLabel | [] | [{"@value":"1-methyl-2,6-dinitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAt… | Added 6 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 260,150 | consensus_match | prefLabel | [{"@value":"2,6-dintrotoluene","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedT… | [{"@value":"2,6-Dinitrotoluene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedT… | cas=606-20-2; cc_chebi_agreed_name='2,6-Dinitrotoluene'; object_uuid=fo-fb28f84854cc23ad |
| 260,151 | consensus_match | altLabel | [{"@value":"1-methyl-2,6-dinitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAt… | [{"@value":"1-methyl-2,6-dinitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAt… | cas=606-20-2; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-fb28f84854cc23ad |
| 260,152 | consensus_match | altLabel | [{"@value":"1-methyl-2,6-dinitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAt… | [{"@value":"1-methyl-2,6-dinitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAt… | group_key=2,6-dintrotoluene||dimension=Environmental > media=Ground > geography=Unknown; cas=606-20-2; added Common Chemistry CAS names as altLabel: Benzene, 2-methyl-1,3-dinitro-, Toluene, 2,6-dinitro-; object_uuid=fo-fb28f84854cc23ad |
| 260,153 | consensus_match | cas_match_labels | — | {"606-20-2":"exactMatch"} | group_key=2,6-dintrotoluene||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory']; cas_sources={'606-20-2': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-fb28f84854cc23ad: {'606-20-2': 'exactMatch'} |
| 275,311 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H6N2O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H6N2O4"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2,6-Dinitrotoluene' |
| 281,818 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H6N2O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H6N2O4"]… | rdkit_post_consensus from 'Cc1c([N+](=O)[O-])cccc1[N+](=O)[O-]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 328,744 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4d9a8790-3ddd-… | associations resolved on the elementary layer |
| 389,609 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H6N2O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H6N2O4"]… | typed the way the ontology types it |
| 396,835 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
20 activitiesOne activity per change: which version of the flow it consumed, and which it produced. The values are on the change with the same number — stored once, not twice.
| Activity | Field | Agent | Used | Generated |
|---|---|---|---|---|
| ef:activity/change/20260821T0609040591070000/6726 | prefLabel | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-9cbb-0050c2490048/v0 | ef:flow/4d9a8790-3ddd-11dd-9cbb-0050c2490048/v1 |
| ef:activity/change/20260821T0609040591070000/6727 | name | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-9cbb-0050c2490048/v1 | ef:flow/4d9a8790-3ddd-11dd-9cbb-0050c2490048/v2 |
| ef:activity/change/20260821T0609040591070000/6728 | synonyms | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-9cbb-0050c2490048/v2 | ef:flow/4d9a8790-3ddd-11dd-9cbb-0050c2490048/v3 |
| ef:activity/change/20260821T0609040591070000/95506 | context | ef:agent/default_context_mapping | ef:flow/4d9a8790-3ddd-11dd-9cbb-0050c2490048/v3 | ef:flow/4d9a8790-3ddd-11dd-9cbb-0050c2490048/v4 |
| ef:activity/change/20260821T0609040591070000/95507 | context_iri | ef:agent/default_context_mapping | ef:flow/4d9a8790-3ddd-11dd-9cbb-0050c2490048/v4 | ef:flow/4d9a8790-3ddd-11dd-9cbb-0050c2490048/v5 |
| ef:activity/change/20260821T0609040591070000/215584 | unit_iri | ef:agent/unit_normalization | ef:flow/4d9a8790-3ddd-11dd-9cbb-0050c2490048/v5 | ef:flow/4d9a8790-3ddd-11dd-9cbb-0050c2490048/v6 |
| ef:activity/change/20260821T0609040591070000/233633 | properties | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-9cbb-0050c2490048/v6 | ef:flow/4d9a8790-3ddd-11dd-9cbb-0050c2490048/v7 |
| ef:activity/change/20260821T0609040591070000/233634 | skos_definition | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-9cbb-0050c2490048/v7 | ef:flow/4d9a8790-3ddd-11dd-9cbb-0050c2490048/v8 |
| ef:activity/change/20260821T0609040591070000/233635 | references | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-9cbb-0050c2490048/v8 | ef:flow/4d9a8790-3ddd-11dd-9cbb-0050c2490048/v9 |
| ef:activity/change/20260821T0609040591070000/250178 | properties | ef:agent/rdkit_pre_consensus | ef:flow/4d9a8790-3ddd-11dd-9cbb-0050c2490048/v9 | ef:flow/4d9a8790-3ddd-11dd-9cbb-0050c2490048/v10 |
| ef:activity/change/20260821T0609040591070000/255209 | altLabel | ef:agent/chebi_altlabels | ef:flow/4d9a8790-3ddd-11dd-9cbb-0050c2490048/v10 | ef:flow/4d9a8790-3ddd-11dd-9cbb-0050c2490048/v11 |
| ef:activity/change/20260821T0609040591070000/260150 | prefLabel | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-9cbb-0050c2490048/v11 | ef:flow/4d9a8790-3ddd-11dd-9cbb-0050c2490048/v12 |
| ef:activity/change/20260821T0609040591070000/260151 | altLabel | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-9cbb-0050c2490048/v12 | ef:flow/4d9a8790-3ddd-11dd-9cbb-0050c2490048/v13 |
| ef:activity/change/20260821T0609040591070000/260152 | altLabel | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-9cbb-0050c2490048/v13 | ef:flow/4d9a8790-3ddd-11dd-9cbb-0050c2490048/v14 |
| ef:activity/change/20260821T0609040591070000/260153 | cas_match_labels | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-9cbb-0050c2490048/v14 | ef:flow/4d9a8790-3ddd-11dd-9cbb-0050c2490048/v15 |
| ef:activity/change/20260821T0609040591070000/275311 | properties | ef:agent/opsin_iupac | ef:flow/4d9a8790-3ddd-11dd-9cbb-0050c2490048/v15 | ef:flow/4d9a8790-3ddd-11dd-9cbb-0050c2490048/v16 |
| ef:activity/change/20260821T0609040591070000/281818 | properties | ef:agent/rdkit_post_consensus | ef:flow/4d9a8790-3ddd-11dd-9cbb-0050c2490048/v16 | ef:flow/4d9a8790-3ddd-11dd-9cbb-0050c2490048/v17 |
| ef:activity/change/20260821T0609040591070000/328744 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/4d9a8790-3ddd-11dd-9cbb-0050c2490048/v17 | ef:flow/4d9a8790-3ddd-11dd-9cbb-0050c2490048/v18 |
| ef:activity/change/20260821T0609040591070000/389609 | properties | ef:agent/normalise_property_values | ef:flow/4d9a8790-3ddd-11dd-9cbb-0050c2490048/v18 | ef:flow/4d9a8790-3ddd-11dd-9cbb-0050c2490048/v19 |
| ef:activity/change/20260821T0609040591070000/396835 | types | ef:agent/link_flows_to_their_substance | ef:flow/4d9a8790-3ddd-11dd-9cbb-0050c2490048/v19 | ef:flow/4d9a8790-3ddd-11dd-9cbb-0050c2490048/v20 |