1,3,5-Trinitrobenzene
Everything that changed this flow. Back to the flow
08a91e70-3ddc-11dd-9d19-0050c2490048
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 | 4 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 36931' (registry code) |
| prefLabel | 3 | bootstrap_labels, consensus_match, normalize_name_case | cas=99-35-4; cc_chebi_agreed_name='1,3,5-Trinitrobenzene'; object_uuid=fo-faca84118175d357 |
| cas_match_labels | 1 | consensus_match | group_key=trinitrobenzene||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'99-35-4': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-faca84118175d357: {'99-35-4': '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 sea water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['99-35-4']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_48113']; candidate_pubchem_cids=[7434, 70284]; selected_pubchem_cids=[7434]; 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
22| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 8,531 | bootstrap_labels | prefLabel | — | [{"@value":"trinitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | Bootstrapped prefLabel from legacy name field |
| 8,532 | bootstrap_labels | name | trinitrobenzene | — | Purged legacy name field to enforce prefLabel usage |
| 8,533 | bootstrap_labels | synonyms | ["1,3,5-TRINITROBENZENE","1,3,5-Trinitrobenzol","2,4,6-trinitrobenzene","246-TRINITROBENZENE","AC1L1OR7","AC1Q5AL7","AK… | [] | Removed legacy synonyms field in favor of structured labels |
| 38,580 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Ocean"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 38,581 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-ocea | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 216,179 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,106 | normalize_name_case | prefLabel | [{"@value":"trinitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | [{"@value":"Trinitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 235,336 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H3N3O6"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 235,337 | enrich_references | skos_definition | — | [{"@value":"A trinitrobenzene in which each of the nitro groups is meta- to the other two.","@language":"en","provenanc… | Merged ChEBI/PubChem definitions into skos:definition |
| 235,338 | enrich_references | references | [] | [{"@id":"gmelin:27979","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"cons… | Added references with provenance; cas_numbers=['99-35-4']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_48113']; candidate_pubchem_cids=[7434, 70284]; selected_pubchem_cids=[7434]; 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 |
| 250,663 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H3N3O6"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H3N3O6"]… | rdkit_pre_consensus from 'C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]'; added: monoisotopic_mass |
| 255,576 | chebi_altlabels | altLabel | [] | [{"@value":"1,3,5-Trinitrobenzol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | Added 5 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 273,019 | consensus_match | prefLabel | [{"@value":"Trinitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | [{"@value":"1,3,5-Trinitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttribut… | cas=99-35-4; cc_chebi_agreed_name='1,3,5-Trinitrobenzene'; object_uuid=fo-faca84118175d357 |
| 273,020 | consensus_match | altLabel | [{"@value":"1,3,5-Trinitrobenzol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | [{"@value":"1,3,5-Trinitrobenzol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | cas=99-35-4; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-faca84118175d357 |
| 273,021 | consensus_match | altLabel | [{"@value":"1,3,5-Trinitrobenzol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | [{"@value":"1,3,5-Trinitrobenzol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | group_key=trinitrobenzene||dimension=Environmental > media=Water > water_body=Unknown; cas=99-35-4; added Common Chemistry CAS names as altLabel: 2,4,6-Trinitrobenzene, Benzene, 1,3,5-trinitro-, NSC 36931, TNB (nitro compound); object_uuid=fo-faca84118175d357 |
| 273,022 | consensus_match | cas_match_labels | — | {"99-35-4":"exactMatch"} | group_key=trinitrobenzene||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'99-35-4': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-faca84118175d357: {'99-35-4': 'exactMatch'} |
| 275,826 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H3N3O6"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H3N3O6"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1,3,5-Trinitrobenzene' |
| 282,384 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H3N3O6"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H3N3O6"]… | rdkit_post_consensus from 'O=[N+]([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,009 | strip_catalogue_altlabels | altLabel | [{"@value":"1,3,5-Trinitrobenzol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | [{"@value":"1,3,5-Trinitrobenzol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | Removed 1 catalogue altLabel value(s): 'NSC 36931' (registry code) |
| 300,308 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/08a91e70-3ddc-… | associations resolved on the elementary layer |
| 390,163 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H3N3O6"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H3N3O6"]… | typed the way the ontology types it |
| 397,662 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
22 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/20260820T1812399309960000/8531 | prefLabel | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-9d19-0050c2490048/v0 | ef:flow/08a91e70-3ddc-11dd-9d19-0050c2490048/v1 |
| ef:activity/change/20260820T1812399309960000/8532 | name | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-9d19-0050c2490048/v1 | ef:flow/08a91e70-3ddc-11dd-9d19-0050c2490048/v2 |
| ef:activity/change/20260820T1812399309960000/8533 | synonyms | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-9d19-0050c2490048/v2 | ef:flow/08a91e70-3ddc-11dd-9d19-0050c2490048/v3 |
| ef:activity/change/20260820T1812399309960000/38580 | context | ef:agent/default_context_mapping | ef:flow/08a91e70-3ddc-11dd-9d19-0050c2490048/v3 | ef:flow/08a91e70-3ddc-11dd-9d19-0050c2490048/v4 |
| ef:activity/change/20260820T1812399309960000/38581 | context_iri | ef:agent/default_context_mapping | ef:flow/08a91e70-3ddc-11dd-9d19-0050c2490048/v4 | ef:flow/08a91e70-3ddc-11dd-9d19-0050c2490048/v5 |
| ef:activity/change/20260820T1812399309960000/216179 | unit_iri | ef:agent/unit_normalization | ef:flow/08a91e70-3ddc-11dd-9d19-0050c2490048/v5 | ef:flow/08a91e70-3ddc-11dd-9d19-0050c2490048/v6 |
| ef:activity/change/20260820T1812399309960000/223106 | prefLabel | ef:agent/normalize_name_case | ef:flow/08a91e70-3ddc-11dd-9d19-0050c2490048/v6 | ef:flow/08a91e70-3ddc-11dd-9d19-0050c2490048/v7 |
| ef:activity/change/20260820T1812399309960000/235336 | properties | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-9d19-0050c2490048/v7 | ef:flow/08a91e70-3ddc-11dd-9d19-0050c2490048/v8 |
| ef:activity/change/20260820T1812399309960000/235337 | skos_definition | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-9d19-0050c2490048/v8 | ef:flow/08a91e70-3ddc-11dd-9d19-0050c2490048/v9 |
| ef:activity/change/20260820T1812399309960000/235338 | references | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-9d19-0050c2490048/v9 | ef:flow/08a91e70-3ddc-11dd-9d19-0050c2490048/v10 |
| ef:activity/change/20260820T1812399309960000/250663 | properties | ef:agent/rdkit_pre_consensus | ef:flow/08a91e70-3ddc-11dd-9d19-0050c2490048/v10 | ef:flow/08a91e70-3ddc-11dd-9d19-0050c2490048/v11 |
| ef:activity/change/20260820T1812399309960000/255576 | altLabel | ef:agent/chebi_altlabels | ef:flow/08a91e70-3ddc-11dd-9d19-0050c2490048/v11 | ef:flow/08a91e70-3ddc-11dd-9d19-0050c2490048/v12 |
| ef:activity/change/20260820T1812399309960000/273019 | prefLabel | ef:agent/consensus_match | ef:flow/08a91e70-3ddc-11dd-9d19-0050c2490048/v12 | ef:flow/08a91e70-3ddc-11dd-9d19-0050c2490048/v13 |
| ef:activity/change/20260820T1812399309960000/273020 | altLabel | ef:agent/consensus_match | ef:flow/08a91e70-3ddc-11dd-9d19-0050c2490048/v13 | ef:flow/08a91e70-3ddc-11dd-9d19-0050c2490048/v14 |
| ef:activity/change/20260820T1812399309960000/273021 | altLabel | ef:agent/consensus_match | ef:flow/08a91e70-3ddc-11dd-9d19-0050c2490048/v14 | ef:flow/08a91e70-3ddc-11dd-9d19-0050c2490048/v15 |
| ef:activity/change/20260820T1812399309960000/273022 | cas_match_labels | ef:agent/consensus_match | ef:flow/08a91e70-3ddc-11dd-9d19-0050c2490048/v15 | ef:flow/08a91e70-3ddc-11dd-9d19-0050c2490048/v16 |
| ef:activity/change/20260820T1812399309960000/275826 | properties | ef:agent/opsin_iupac | ef:flow/08a91e70-3ddc-11dd-9d19-0050c2490048/v16 | ef:flow/08a91e70-3ddc-11dd-9d19-0050c2490048/v17 |
| ef:activity/change/20260820T1812399309960000/282384 | properties | ef:agent/rdkit_post_consensus | ef:flow/08a91e70-3ddc-11dd-9d19-0050c2490048/v17 | ef:flow/08a91e70-3ddc-11dd-9d19-0050c2490048/v18 |
| ef:activity/change/20260820T1812399309960000/289009 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/08a91e70-3ddc-11dd-9d19-0050c2490048/v18 | ef:flow/08a91e70-3ddc-11dd-9d19-0050c2490048/v19 |
| ef:activity/change/20260820T1812399309960000/300308 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/08a91e70-3ddc-11dd-9d19-0050c2490048/v19 | ef:flow/08a91e70-3ddc-11dd-9d19-0050c2490048/v20 |
| ef:activity/change/20260820T1812399309960000/390163 | properties | ef:agent/normalise_property_values | ef:flow/08a91e70-3ddc-11dd-9d19-0050c2490048/v20 | ef:flow/08a91e70-3ddc-11dd-9d19-0050c2490048/v21 |
| ef:activity/change/20260820T1812399309960000/397662 | types | ef:agent/link_flows_to_their_substance | ef:flow/08a91e70-3ddc-11dd-9d19-0050c2490048/v21 | ef:flow/08a91e70-3ddc-11dd-9d19-0050c2490048/v22 |