Dimethyl 2-nitroterephthalate
Everything that changed this flow. Back to the flow
9adec75f-586d-4a48-92e7-d8b7df03b861
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 | 2 | consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 5056' (registry code) |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| cas_match_labels | 1 | consensus_match | group_key=dimethyl2-nitroterephthalate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'5292-45-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ae409df20475b379: {'5292-45-5': '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 water > Emissions to water, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['5292-45-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[21364]; selected_pubchem_cids=[21364]; 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
19| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 3,083 | bootstrap_labels | prefLabel | — | [{"@value":"dimethyl 2-nitroterephthalate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wa… | Bootstrapped prefLabel from legacy name field |
| 3,084 | bootstrap_labels | name | dimethyl 2-nitroterephthalate | — | Purged legacy name field to enforce prefLabel usage |
| 3,085 | bootstrap_labels | synonyms | ["organic","dimethyl2-nitroterephthalate","1,4-benzenedicarboxylicacid,2-nitro-,1,4-dimethylester","1,4-benzenedicarbox… | [] | Removed legacy synonyms field in favor of structured labels |
| 141,822 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 141,823 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 214,368 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,796 | normalize_name_case | prefLabel | [{"@value":"dimethyl 2-nitroterephthalate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wa… | [{"@value":"Dimethyl 2-nitroterephthalate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wa… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 230,141 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H9NO6"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 230,142 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 230,143 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J208.799E","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['5292-45-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[21364]; selected_pubchem_cids=[21364]; 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 |
| 249,173 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H9NO6"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H9NO6"]… | rdkit_pre_consensus from 'COC(=O)C1=CC(=C(C=C1)C(=O)OC)[N+](=O)[O-]'; added: molecular_mass, monoisotopic_mass |
| 266,078 | consensus_match | altLabel | [] | [{"@value":"1,4-Benzenedicarboxylic acid, 2-nitro-, 1,4-dimethyl ester","@language":"en","source":{"prov:wasGeneratedBy… | group_key=dimethyl2-nitroterephthalate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=5292-45-5; added Common Chemistry CAS names as altLabel: 1,4-Benzenedicarboxylic acid, 2-nitro-, 1,4-dimethyl ester, 1,4-Benzenedicarboxylic acid, 2-nitro-, dimethyl ester, 1,4-Dimethyl 2-nitrobenzene-1,4-dicarboxylate, 1-Nitrobenzene-2,5-dicarboxylic acid dimethyl ester, Dimethyl 2-nitro-1,4-benzenedicarboxylate, Dimethyl <em>o</em>-nitroterephthalate, Dimethyl nitroterephthalate, NSC 5056, Terephthalic acid, nitro-, dimethyl ester; object_uuid=fo-ae409df20475b379 |
| 266,079 | consensus_match | cas_match_labels | — | {"5292-45-5":"exactMatch"} | group_key=dimethyl2-nitroterephthalate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'5292-45-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ae409df20475b379: {'5292-45-5': 'exactMatch'} |
| 274,287 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H9NO6"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H9NO6"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Dimethyl 2-nitroterephthalate' |
| 280,718 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H9NO6"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H9NO6"]… | rdkit_post_consensus from 'COC(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,863 | strip_catalogue_altlabels | altLabel | [{"@value":"1,4-Benzenedicarboxylic acid, 2-nitro-, 1,4-dimethyl ester","@language":"en","source":{"prov:wasGeneratedBy… | [{"@value":"1,4-Benzenedicarboxylic acid, 2-nitro-, 1,4-dimethyl ester","@language":"en","source":{"prov:wasGeneratedBy… | Removed 1 catalogue altLabel value(s): 'NSC 5056' (registry code) |
| 351,912 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/9adec75f-586d-… | associations resolved on the elementary layer |
| 388,584 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H9NO6"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H9NO6"]… | typed the way the ontology types it |
| 395,384 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
19 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/20260822T0600486828500000/3083 | prefLabel | ef:agent/bootstrap_labels | ef:flow/9adec75f-586d-4a48-92e7-d8b7df03b861/v0 | ef:flow/9adec75f-586d-4a48-92e7-d8b7df03b861/v1 |
| ef:activity/change/20260822T0600486828500000/3084 | name | ef:agent/bootstrap_labels | ef:flow/9adec75f-586d-4a48-92e7-d8b7df03b861/v1 | ef:flow/9adec75f-586d-4a48-92e7-d8b7df03b861/v2 |
| ef:activity/change/20260822T0600486828500000/3085 | synonyms | ef:agent/bootstrap_labels | ef:flow/9adec75f-586d-4a48-92e7-d8b7df03b861/v2 | ef:flow/9adec75f-586d-4a48-92e7-d8b7df03b861/v3 |
| ef:activity/change/20260822T0600486828500000/141822 | context | ef:agent/default_context_mapping | ef:flow/9adec75f-586d-4a48-92e7-d8b7df03b861/v3 | ef:flow/9adec75f-586d-4a48-92e7-d8b7df03b861/v4 |
| ef:activity/change/20260822T0600486828500000/141823 | context_iri | ef:agent/default_context_mapping | ef:flow/9adec75f-586d-4a48-92e7-d8b7df03b861/v4 | ef:flow/9adec75f-586d-4a48-92e7-d8b7df03b861/v5 |
| ef:activity/change/20260822T0600486828500000/214368 | unit_iri | ef:agent/unit_normalization | ef:flow/9adec75f-586d-4a48-92e7-d8b7df03b861/v5 | ef:flow/9adec75f-586d-4a48-92e7-d8b7df03b861/v6 |
| ef:activity/change/20260822T0600486828500000/221796 | prefLabel | ef:agent/normalize_name_case | ef:flow/9adec75f-586d-4a48-92e7-d8b7df03b861/v6 | ef:flow/9adec75f-586d-4a48-92e7-d8b7df03b861/v7 |
| ef:activity/change/20260822T0600486828500000/230141 | properties | ef:agent/enrich_references | ef:flow/9adec75f-586d-4a48-92e7-d8b7df03b861/v7 | ef:flow/9adec75f-586d-4a48-92e7-d8b7df03b861/v8 |
| ef:activity/change/20260822T0600486828500000/230142 | skos_definition | ef:agent/enrich_references | ef:flow/9adec75f-586d-4a48-92e7-d8b7df03b861/v8 | ef:flow/9adec75f-586d-4a48-92e7-d8b7df03b861/v9 |
| ef:activity/change/20260822T0600486828500000/230143 | references | ef:agent/enrich_references | ef:flow/9adec75f-586d-4a48-92e7-d8b7df03b861/v9 | ef:flow/9adec75f-586d-4a48-92e7-d8b7df03b861/v10 |
| ef:activity/change/20260822T0600486828500000/249173 | properties | ef:agent/rdkit_pre_consensus | ef:flow/9adec75f-586d-4a48-92e7-d8b7df03b861/v10 | ef:flow/9adec75f-586d-4a48-92e7-d8b7df03b861/v11 |
| ef:activity/change/20260822T0600486828500000/266078 | altLabel | ef:agent/consensus_match | ef:flow/9adec75f-586d-4a48-92e7-d8b7df03b861/v11 | ef:flow/9adec75f-586d-4a48-92e7-d8b7df03b861/v12 |
| ef:activity/change/20260822T0600486828500000/266079 | cas_match_labels | ef:agent/consensus_match | ef:flow/9adec75f-586d-4a48-92e7-d8b7df03b861/v12 | ef:flow/9adec75f-586d-4a48-92e7-d8b7df03b861/v13 |
| ef:activity/change/20260822T0600486828500000/274287 | properties | ef:agent/opsin_iupac | ef:flow/9adec75f-586d-4a48-92e7-d8b7df03b861/v13 | ef:flow/9adec75f-586d-4a48-92e7-d8b7df03b861/v14 |
| ef:activity/change/20260822T0600486828500000/280718 | properties | ef:agent/rdkit_post_consensus | ef:flow/9adec75f-586d-4a48-92e7-d8b7df03b861/v14 | ef:flow/9adec75f-586d-4a48-92e7-d8b7df03b861/v15 |
| ef:activity/change/20260822T0600486828500000/287863 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/9adec75f-586d-4a48-92e7-d8b7df03b861/v15 | ef:flow/9adec75f-586d-4a48-92e7-d8b7df03b861/v16 |
| ef:activity/change/20260822T0600486828500000/351912 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/9adec75f-586d-4a48-92e7-d8b7df03b861/v16 | ef:flow/9adec75f-586d-4a48-92e7-d8b7df03b861/v17 |
| ef:activity/change/20260822T0600486828500000/388584 | properties | ef:agent/normalise_property_values | ef:flow/9adec75f-586d-4a48-92e7-d8b7df03b861/v17 | ef:flow/9adec75f-586d-4a48-92e7-d8b7df03b861/v18 |
| ef:activity/change/20260822T0600486828500000/395384 | types | ef:agent/link_flows_to_their_substance | ef:flow/9adec75f-586d-4a48-92e7-d8b7df03b861/v18 | ef:flow/9adec75f-586d-4a48-92e7-d8b7df03b861/v19 |