6-nitrobenzimidazole
Everything that changed this flow. Back to the flow
4d9a8790-3ddd-11dd-9438-0050c2490048
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 | 2 | consensus_match, strip_catalogue_altlabels | Removed 2 catalogue altLabel value(s): 'NSC 3068' (registry code), 'NSC 58858' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=6-nitrobenzimidazole||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'94-52-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8abc213cee07c121: {'94-52-0': '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 water > Emissions to fresh water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['94-52-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[7195, 263294, 73553898]; selected_pubchem_cids=[7195]; 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 |
|---|---|---|---|---|---|
| 22,602 | bootstrap_labels | prefLabel | — | [{"@value":"6-nitrobenzimidazole","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | Bootstrapped prefLabel from legacy name field |
| 22,603 | bootstrap_labels | name | 6-nitrobenzimidazole | — | Purged legacy name field to enforce prefLabel usage |
| 22,604 | bootstrap_labels | synonyms | ["1H-Benzimidazole, 5-nitro-","1H-Benzimidazole, 6-nitro-","5(6)-Nitrobenzimidazole","5-NITROBENZIMIDAZOLE","5-Nitro-1H… | [] | Removed legacy synonyms field in favor of structured labels |
| 91,202 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Surface water"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 91,203 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-suwa | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 220,503 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 247,528 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5N3O2"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 247,529 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 247,530 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J68.954H","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['94-52-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[7195, 263294, 73553898]; selected_pubchem_cids=[7195]; 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 |
| 254,186 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5N3O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5N3O2"]… | rdkit_pre_consensus from 'C1=CC2=C(C=C1[N+](=O)[O-])NC=N2'; added: molecular_mass, monoisotopic_mass |
| 263,282 | consensus_match | altLabel | [] | [{"@value":"1<em>H</em>-Benzimidazole, 5-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pr… | group_key=6-nitrobenzimidazole||dimension=Environmental > media=Ground > geography=Agricultural; cas=94-52-0; added Common Chemistry CAS names as altLabel: 1<em>H</em>-Benzimidazole, 5-nitro-, 1<em>H</em>-Benzimidazole, 6-nitro-, 5(6)-Nitrobenzimidazole, 5-Nitro-1<em>H</em>-benzimidazole, 5-Nitrobenzimidazole, 6-Nitro-1<em>H</em>-benzimidazole, 6-Nitro-1<em>H</em>-benzo[<em>d</em>]imidazole, Benzimidazole, 5(<em>or</em> 6)-nitro-, Benzimidazole, 5-nitro-, NSC 3068, NSC 58858; object_uuid=fo-8abc213cee07c121 |
| 263,283 | consensus_match | cas_match_labels | — | {"94-52-0":"exactMatch"} | group_key=6-nitrobenzimidazole||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'94-52-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8abc213cee07c121: {'94-52-0': 'exactMatch'} |
| 279,401 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5N3O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5N3O2"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '6-nitrobenzimidazole' |
| 286,277 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5N3O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5N3O2"]… | rdkit_post_consensus from 'O=[N+]([O-])c1ccc2[nH]cnc2c1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,631 | strip_catalogue_altlabels | altLabel | [{"@value":"1<em>H</em>-Benzimidazole, 5-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pr… | [{"@value":"1H-Benzimidazole, 5-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAtt… | Removed 2 catalogue altLabel value(s): 'NSC 3068' (registry code), 'NSC 58858' (registry code) |
| 326,607 | 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 |
| 393,794 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5N3O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5N3O2"]… | typed the way the ontology types it |
| 402,981 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | 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/20260821T1554374006150000/22602 | prefLabel | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-9438-0050c2490048/v0 | ef:flow/4d9a8790-3ddd-11dd-9438-0050c2490048/v1 |
| ef:activity/change/20260821T1554374006150000/22603 | name | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-9438-0050c2490048/v1 | ef:flow/4d9a8790-3ddd-11dd-9438-0050c2490048/v2 |
| ef:activity/change/20260821T1554374006150000/22604 | synonyms | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-9438-0050c2490048/v2 | ef:flow/4d9a8790-3ddd-11dd-9438-0050c2490048/v3 |
| ef:activity/change/20260821T1554374006150000/91202 | context | ef:agent/default_context_mapping | ef:flow/4d9a8790-3ddd-11dd-9438-0050c2490048/v3 | ef:flow/4d9a8790-3ddd-11dd-9438-0050c2490048/v4 |
| ef:activity/change/20260821T1554374006150000/91203 | context_iri | ef:agent/default_context_mapping | ef:flow/4d9a8790-3ddd-11dd-9438-0050c2490048/v4 | ef:flow/4d9a8790-3ddd-11dd-9438-0050c2490048/v5 |
| ef:activity/change/20260821T1554374006150000/220503 | unit_iri | ef:agent/unit_normalization | ef:flow/4d9a8790-3ddd-11dd-9438-0050c2490048/v5 | ef:flow/4d9a8790-3ddd-11dd-9438-0050c2490048/v6 |
| ef:activity/change/20260821T1554374006150000/247528 | properties | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-9438-0050c2490048/v6 | ef:flow/4d9a8790-3ddd-11dd-9438-0050c2490048/v7 |
| ef:activity/change/20260821T1554374006150000/247529 | skos_definition | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-9438-0050c2490048/v7 | ef:flow/4d9a8790-3ddd-11dd-9438-0050c2490048/v8 |
| ef:activity/change/20260821T1554374006150000/247530 | references | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-9438-0050c2490048/v8 | ef:flow/4d9a8790-3ddd-11dd-9438-0050c2490048/v9 |
| ef:activity/change/20260821T1554374006150000/254186 | properties | ef:agent/rdkit_pre_consensus | ef:flow/4d9a8790-3ddd-11dd-9438-0050c2490048/v9 | ef:flow/4d9a8790-3ddd-11dd-9438-0050c2490048/v10 |
| ef:activity/change/20260821T1554374006150000/263282 | altLabel | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-9438-0050c2490048/v10 | ef:flow/4d9a8790-3ddd-11dd-9438-0050c2490048/v11 |
| ef:activity/change/20260821T1554374006150000/263283 | cas_match_labels | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-9438-0050c2490048/v11 | ef:flow/4d9a8790-3ddd-11dd-9438-0050c2490048/v12 |
| ef:activity/change/20260821T1554374006150000/279401 | properties | ef:agent/opsin_iupac | ef:flow/4d9a8790-3ddd-11dd-9438-0050c2490048/v12 | ef:flow/4d9a8790-3ddd-11dd-9438-0050c2490048/v13 |
| ef:activity/change/20260821T1554374006150000/286277 | properties | ef:agent/rdkit_post_consensus | ef:flow/4d9a8790-3ddd-11dd-9438-0050c2490048/v13 | ef:flow/4d9a8790-3ddd-11dd-9438-0050c2490048/v14 |
| ef:activity/change/20260821T1554374006150000/291631 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/4d9a8790-3ddd-11dd-9438-0050c2490048/v14 | ef:flow/4d9a8790-3ddd-11dd-9438-0050c2490048/v15 |
| ef:activity/change/20260821T1554374006150000/326607 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/4d9a8790-3ddd-11dd-9438-0050c2490048/v15 | ef:flow/4d9a8790-3ddd-11dd-9438-0050c2490048/v16 |
| ef:activity/change/20260821T1554374006150000/393794 | properties | ef:agent/normalise_property_values | ef:flow/4d9a8790-3ddd-11dd-9438-0050c2490048/v16 | ef:flow/4d9a8790-3ddd-11dd-9438-0050c2490048/v17 |
| ef:activity/change/20260821T1554374006150000/402981 | types | ef:agent/link_flows_to_their_substance | ef:flow/4d9a8790-3ddd-11dd-9438-0050c2490048/v17 | ef:flow/4d9a8790-3ddd-11dd-9438-0050c2490048/v18 |