5-nitroindazole
Everything that changed this flow. Back to the flow
6a7b13f7-0940-4c98-9a3a-24b2b2bf0598
By field
14 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 5032' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=5-nitroindazole||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'5401-94-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-49f64eaf3663eeb4: {'5401-94-5': '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 air > Emissions to non-urban air or from high stacks |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| ec_numbers | 1 | ec_cross_check | Resolved from EC-inventory: 226-451-5 from CAS 5401-94-5 |
| 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=['5401-94-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[21501]; selected_pubchem_cids=[21501]; 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 |
|---|---|---|---|---|---|
| 13,081 | bootstrap_labels | prefLabel | — | [{"@value":"5-nitroindazole","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | Bootstrapped prefLabel from legacy name field |
| 13,082 | bootstrap_labels | name | 5-nitroindazole | — | Purged legacy name field to enforce prefLabel usage |
| 13,083 | bootstrap_labels | synonyms | ["1H-INDAZOLE, 5-NITRO-","5-Nitro-1H-indazole","5NI","AC-2732","AC1L2IGS","AKOS000120077","AQ-776/40649175","FS000340",… | [] | Removed legacy synonyms field in favor of structured labels |
| 113,162 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Medium stack, <150 meters","population_density":"Rural (<1000 peop… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 113,163 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-mest15me-ru10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 217,664 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 226,958 | ec_cross_check | ec_numbers | [] | ["226-451-5"] | Resolved from EC-inventory: 226-451-5 from CAS 5401-94-5 |
| 239,590 | 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) |
| 239,591 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 239,592 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.232B","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['5401-94-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[21501]; selected_pubchem_cids=[21501]; 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 |
| 251,886 | 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-])C=NN2'; added: molecular_mass, monoisotopic_mass |
| 263,146 | consensus_match | altLabel | [] | [{"@value":"1<em>H</em>-Indazole, 5-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wa… | group_key=5-nitroindazole||dimension=Environmental > media=Water > water_body=Long-term; cas=5401-94-5; added Common Chemistry CAS names as altLabel: 1<em>H</em>-Indazole, 5-nitro-, 5-Nitro-1<em>H</em>-benzopyrazole, 5-Nitro-1<em>H</em>-indazole, Indazole, 5-nitro-, NSC 5032; object_uuid=fo-49f64eaf3663eeb4 |
| 263,147 | consensus_match | cas_match_labels | — | {"5401-94-5":"exactMatch"} | group_key=5-nitroindazole||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'5401-94-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-49f64eaf3663eeb4: {'5401-94-5': 'exactMatch'} |
| 277,077 | 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 '5-nitroindazole' |
| 283,735 | 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]ncc2c1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,941 | strip_catalogue_altlabels | altLabel | [{"@value":"1<em>H</em>-Indazole, 5-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wa… | [{"@value":"1H-Indazole, 5-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttribut… | Removed 1 catalogue altLabel value(s): 'NSC 5032' (registry code) |
| 337,580 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/6a7b13f7-0940-… | associations resolved on the elementary layer |
| 391,428 | 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 |
| 399,457 | 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/20260821T1554374006150000/13081 | prefLabel | ef:agent/bootstrap_labels | ef:flow/6a7b13f7-0940-4c98-9a3a-24b2b2bf0598/v0 | ef:flow/6a7b13f7-0940-4c98-9a3a-24b2b2bf0598/v1 |
| ef:activity/change/20260821T1554374006150000/13082 | name | ef:agent/bootstrap_labels | ef:flow/6a7b13f7-0940-4c98-9a3a-24b2b2bf0598/v1 | ef:flow/6a7b13f7-0940-4c98-9a3a-24b2b2bf0598/v2 |
| ef:activity/change/20260821T1554374006150000/13083 | synonyms | ef:agent/bootstrap_labels | ef:flow/6a7b13f7-0940-4c98-9a3a-24b2b2bf0598/v2 | ef:flow/6a7b13f7-0940-4c98-9a3a-24b2b2bf0598/v3 |
| ef:activity/change/20260821T1554374006150000/113162 | context | ef:agent/default_context_mapping | ef:flow/6a7b13f7-0940-4c98-9a3a-24b2b2bf0598/v3 | ef:flow/6a7b13f7-0940-4c98-9a3a-24b2b2bf0598/v4 |
| ef:activity/change/20260821T1554374006150000/113163 | context_iri | ef:agent/default_context_mapping | ef:flow/6a7b13f7-0940-4c98-9a3a-24b2b2bf0598/v4 | ef:flow/6a7b13f7-0940-4c98-9a3a-24b2b2bf0598/v5 |
| ef:activity/change/20260821T1554374006150000/217664 | unit_iri | ef:agent/unit_normalization | ef:flow/6a7b13f7-0940-4c98-9a3a-24b2b2bf0598/v5 | ef:flow/6a7b13f7-0940-4c98-9a3a-24b2b2bf0598/v6 |
| ef:activity/change/20260821T1554374006150000/226958 | ec_numbers | ef:agent/ec_cross_check | ef:flow/6a7b13f7-0940-4c98-9a3a-24b2b2bf0598/v6 | ef:flow/6a7b13f7-0940-4c98-9a3a-24b2b2bf0598/v7 |
| ef:activity/change/20260821T1554374006150000/239590 | properties | ef:agent/enrich_references | ef:flow/6a7b13f7-0940-4c98-9a3a-24b2b2bf0598/v7 | ef:flow/6a7b13f7-0940-4c98-9a3a-24b2b2bf0598/v8 |
| ef:activity/change/20260821T1554374006150000/239591 | skos_definition | ef:agent/enrich_references | ef:flow/6a7b13f7-0940-4c98-9a3a-24b2b2bf0598/v8 | ef:flow/6a7b13f7-0940-4c98-9a3a-24b2b2bf0598/v9 |
| ef:activity/change/20260821T1554374006150000/239592 | references | ef:agent/enrich_references | ef:flow/6a7b13f7-0940-4c98-9a3a-24b2b2bf0598/v9 | ef:flow/6a7b13f7-0940-4c98-9a3a-24b2b2bf0598/v10 |
| ef:activity/change/20260821T1554374006150000/251886 | properties | ef:agent/rdkit_pre_consensus | ef:flow/6a7b13f7-0940-4c98-9a3a-24b2b2bf0598/v10 | ef:flow/6a7b13f7-0940-4c98-9a3a-24b2b2bf0598/v11 |
| ef:activity/change/20260821T1554374006150000/263146 | altLabel | ef:agent/consensus_match | ef:flow/6a7b13f7-0940-4c98-9a3a-24b2b2bf0598/v11 | ef:flow/6a7b13f7-0940-4c98-9a3a-24b2b2bf0598/v12 |
| ef:activity/change/20260821T1554374006150000/263147 | cas_match_labels | ef:agent/consensus_match | ef:flow/6a7b13f7-0940-4c98-9a3a-24b2b2bf0598/v12 | ef:flow/6a7b13f7-0940-4c98-9a3a-24b2b2bf0598/v13 |
| ef:activity/change/20260821T1554374006150000/277077 | properties | ef:agent/opsin_iupac | ef:flow/6a7b13f7-0940-4c98-9a3a-24b2b2bf0598/v13 | ef:flow/6a7b13f7-0940-4c98-9a3a-24b2b2bf0598/v14 |
| ef:activity/change/20260821T1554374006150000/283735 | properties | ef:agent/rdkit_post_consensus | ef:flow/6a7b13f7-0940-4c98-9a3a-24b2b2bf0598/v14 | ef:flow/6a7b13f7-0940-4c98-9a3a-24b2b2bf0598/v15 |
| ef:activity/change/20260821T1554374006150000/289941 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/6a7b13f7-0940-4c98-9a3a-24b2b2bf0598/v15 | ef:flow/6a7b13f7-0940-4c98-9a3a-24b2b2bf0598/v16 |
| ef:activity/change/20260821T1554374006150000/337580 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/6a7b13f7-0940-4c98-9a3a-24b2b2bf0598/v16 | ef:flow/6a7b13f7-0940-4c98-9a3a-24b2b2bf0598/v17 |
| ef:activity/change/20260821T1554374006150000/391428 | properties | ef:agent/normalise_property_values | ef:flow/6a7b13f7-0940-4c98-9a3a-24b2b2bf0598/v17 | ef:flow/6a7b13f7-0940-4c98-9a3a-24b2b2bf0598/v18 |
| ef:activity/change/20260821T1554374006150000/399457 | types | ef:agent/link_flows_to_their_substance | ef:flow/6a7b13f7-0940-4c98-9a3a-24b2b2bf0598/v18 | ef:flow/6a7b13f7-0940-4c98-9a3a-24b2b2bf0598/v19 |