Lead 2,4,6-trinitro-m-phenylene Dioxide
Everything that changed this flow. Back to the flow
16bda0ae-1439-4dc0-a7d7-257394085cfd
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus, withhold_ambiguous_mass | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| altLabel | 1 | consensus_match | group_key=lead2,4,6-trinitro-m-phenylenedioxide||dimension=Environmental > media=Ground > geography=Agricultural; cas=15245-44-0; added Common Chemistry CAS names as altLabel: 1,3-Benzenediol, 2,4,6-trinitro-, lead(2+) salt (1:1), 2,4-Dioxa-3-plumbabicyclo[3.3.1]nona-1(9),5,7-triene, 3,3-didehydro-6,8,9-trinitro-, Lead styphnate, Lead tricinate, Lead trinitroresorcinate, Lead, [styphnato(2-)]-, Resorcinol, 2,4,6-trinitro-, lead(2+) salt (1:1), Tricinat; object_uuid=fo-5661c77e7113423c |
| cas_match_labels | 1 | consensus_match | group_key=lead2,4,6-trinitro-m-phenylenedioxide||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'15245-44-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5661c77e7113423c: {'15245-44-0': '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=['15245-44-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[61789, 16702003, 88506340]; selected_pubchem_cids=[88506340]; 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
18| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 11,105 | bootstrap_labels | prefLabel | — | [{"@value":"lead 2,4,6-trinitro-m-phenylene dioxide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels… | Bootstrapped prefLabel from legacy name field |
| 11,106 | bootstrap_labels | name | lead 2,4,6-trinitro-m-phenylene dioxide | — | Purged legacy name field to enforce prefLabel usage |
| 11,107 | bootstrap_labels | synonyms | ["1,3-Benzenediol, 2,4,6-trinitro-, lead(2+) salt (1:1)","2,4,6-trinitrobenzene-1,3-diolate","AC1L1VX4","Lead trinitror… | [] | Removed legacy synonyms field in favor of structured labels |
| 50,741 | 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 |
| 50,742 | 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 |
| 217,024 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,690 | normalize_name_case | prefLabel | [{"@value":"lead 2,4,6-trinitro-m-phenylene dioxide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels… | [{"@value":"Lead 2,4,6-trinitro-m-phenylene Dioxide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 237,751 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H3N3O8Pb… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 237,752 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 237,753 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=15245-44-0","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['15245-44-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[61789, 16702003, 88506340]; selected_pubchem_cids=[88506340]; 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 |
| 251,359 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H3N3O8Pb… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H3N3O8Pb… | rdkit_pre_consensus from 'C1=C(C(=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])O)[N+](=O)[O-].[Pb]'; added: molecular_mass, monoisotopic_mass |
| 268,351 | consensus_match | altLabel | [] | [{"@value":"1,3-Benzenediol, 2,4,6-trinitro-, lead(2+) salt (1:1)","@language":"en","source":{"prov:wasGeneratedBy":"co… | group_key=lead2,4,6-trinitro-m-phenylenedioxide||dimension=Environmental > media=Ground > geography=Agricultural; cas=15245-44-0; added Common Chemistry CAS names as altLabel: 1,3-Benzenediol, 2,4,6-trinitro-, lead(2+) salt (1:1), 2,4-Dioxa-3-plumbabicyclo[3.3.1]nona-1(9),5,7-triene, 3,3-didehydro-6,8,9-trinitro-, Lead styphnate, Lead tricinate, Lead trinitroresorcinate, Lead, [styphnato(2-)]-, Resorcinol, 2,4,6-trinitro-, lead(2+) salt (1:1), Tricinat; object_uuid=fo-5661c77e7113423c |
| 268,352 | consensus_match | cas_match_labels | — | {"15245-44-0":"exactMatch"} | group_key=lead2,4,6-trinitro-m-phenylenedioxide||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'15245-44-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5661c77e7113423c: {'15245-44-0': 'exactMatch'} |
| 276,540 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H3N3O8Pb… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H3N3O8Pb… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Lead styphnate' |
| 283,155 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H3N3O8Pb… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H3N3O8Pb… | rdkit_post_consensus from 'O=[N+]([O-])c1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1[O-].[Pb+2]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 286,965 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H3N3O8Pb… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H3N3O8Pb… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 306,438 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/16bda0ae-1439-… | associations resolved on the elementary layer |
| 398,724 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | the substance's answer, copied onto its flow |
PROV-O trail
18 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/20261019T0712047113160000/11105 | prefLabel | ef:agent/bootstrap_labels | ef:flow/16bda0ae-1439-4dc0-a7d7-257394085cfd/v0 | ef:flow/16bda0ae-1439-4dc0-a7d7-257394085cfd/v1 |
| ef:activity/change/20261019T0712047113160000/11106 | name | ef:agent/bootstrap_labels | ef:flow/16bda0ae-1439-4dc0-a7d7-257394085cfd/v1 | ef:flow/16bda0ae-1439-4dc0-a7d7-257394085cfd/v2 |
| ef:activity/change/20261019T0712047113160000/11107 | synonyms | ef:agent/bootstrap_labels | ef:flow/16bda0ae-1439-4dc0-a7d7-257394085cfd/v2 | ef:flow/16bda0ae-1439-4dc0-a7d7-257394085cfd/v3 |
| ef:activity/change/20261019T0712047113160000/50741 | context | ef:agent/default_context_mapping | ef:flow/16bda0ae-1439-4dc0-a7d7-257394085cfd/v3 | ef:flow/16bda0ae-1439-4dc0-a7d7-257394085cfd/v4 |
| ef:activity/change/20261019T0712047113160000/50742 | context_iri | ef:agent/default_context_mapping | ef:flow/16bda0ae-1439-4dc0-a7d7-257394085cfd/v4 | ef:flow/16bda0ae-1439-4dc0-a7d7-257394085cfd/v5 |
| ef:activity/change/20261019T0712047113160000/217024 | unit_iri | ef:agent/unit_normalization | ef:flow/16bda0ae-1439-4dc0-a7d7-257394085cfd/v5 | ef:flow/16bda0ae-1439-4dc0-a7d7-257394085cfd/v6 |
| ef:activity/change/20261019T0712047113160000/223690 | prefLabel | ef:agent/normalize_name_case | ef:flow/16bda0ae-1439-4dc0-a7d7-257394085cfd/v6 | ef:flow/16bda0ae-1439-4dc0-a7d7-257394085cfd/v7 |
| ef:activity/change/20261019T0712047113160000/237751 | properties | ef:agent/enrich_references | ef:flow/16bda0ae-1439-4dc0-a7d7-257394085cfd/v7 | ef:flow/16bda0ae-1439-4dc0-a7d7-257394085cfd/v8 |
| ef:activity/change/20261019T0712047113160000/237752 | skos_definition | ef:agent/enrich_references | ef:flow/16bda0ae-1439-4dc0-a7d7-257394085cfd/v8 | ef:flow/16bda0ae-1439-4dc0-a7d7-257394085cfd/v9 |
| ef:activity/change/20261019T0712047113160000/237753 | references | ef:agent/enrich_references | ef:flow/16bda0ae-1439-4dc0-a7d7-257394085cfd/v9 | ef:flow/16bda0ae-1439-4dc0-a7d7-257394085cfd/v10 |
| ef:activity/change/20261019T0712047113160000/251359 | properties | ef:agent/rdkit_pre_consensus | ef:flow/16bda0ae-1439-4dc0-a7d7-257394085cfd/v10 | ef:flow/16bda0ae-1439-4dc0-a7d7-257394085cfd/v11 |
| ef:activity/change/20261019T0712047113160000/268351 | altLabel | ef:agent/consensus_match | ef:flow/16bda0ae-1439-4dc0-a7d7-257394085cfd/v11 | ef:flow/16bda0ae-1439-4dc0-a7d7-257394085cfd/v12 |
| ef:activity/change/20261019T0712047113160000/268352 | cas_match_labels | ef:agent/consensus_match | ef:flow/16bda0ae-1439-4dc0-a7d7-257394085cfd/v12 | ef:flow/16bda0ae-1439-4dc0-a7d7-257394085cfd/v13 |
| ef:activity/change/20261019T0712047113160000/276540 | properties | ef:agent/opsin_iupac | ef:flow/16bda0ae-1439-4dc0-a7d7-257394085cfd/v13 | ef:flow/16bda0ae-1439-4dc0-a7d7-257394085cfd/v14 |
| ef:activity/change/20261019T0712047113160000/283155 | properties | ef:agent/rdkit_post_consensus | ef:flow/16bda0ae-1439-4dc0-a7d7-257394085cfd/v14 | ef:flow/16bda0ae-1439-4dc0-a7d7-257394085cfd/v15 |
| ef:activity/change/20261019T0712047113160000/286965 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/16bda0ae-1439-4dc0-a7d7-257394085cfd/v15 | ef:flow/16bda0ae-1439-4dc0-a7d7-257394085cfd/v16 |
| ef:activity/change/20261019T0712047113160000/306438 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/16bda0ae-1439-4dc0-a7d7-257394085cfd/v16 | ef:flow/16bda0ae-1439-4dc0-a7d7-257394085cfd/v17 |
| ef:activity/change/20261019T0712047113160000/398724 | types | ef:agent/link_flows_to_their_substance | ef:flow/16bda0ae-1439-4dc0-a7d7-257394085cfd/v17 | ef:flow/16bda0ae-1439-4dc0-a7d7-257394085cfd/v18 |