Nitromethane
Everything that changed this flow. Back to the flow
7c4a4ceb-be99-4246-b03b-004b9ca0f537
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 | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 428' (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=nitromethane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'75-52-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-68c8c767b021151d: {'75-52-5': '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 air, indoor |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['75-52-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_77701']; candidate_pubchem_cids=[6375]; selected_pubchem_cids=[6375]; 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
20| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 9,273 | bootstrap_labels | prefLabel | — | [{"@value":"nitromethane","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"c… | Bootstrapped prefLabel from legacy name field |
| 9,274 | bootstrap_labels | name | nitromethane | — | Purged legacy name field to enforce prefLabel usage |
| 23,836 | bootstrap_labels | synonyms | ["nitromethane","methane, nitro-","nitrometano","nitromethan","AB1003613","AC1L1ME0","AC1L42IX","AC1Q29QR","AC1Q29QS","… | [] | Removed legacy synonyms field in favor of structured labels |
| 123,607 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 123,608 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 216,427 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,283 | normalize_name_case | prefLabel | [{"@value":"nitromethane","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"c… | [{"@value":"Nitromethane","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"c… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 236,057 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CH3NO2"],"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 236,058 | enrich_references | skos_definition | — | [{"@value":"A primary nitroalkane that is methane in which one of the hydrogens is replace by a nitro group. A polar so… | Merged ChEBI/PubChem definitions into skos:definition |
| 236,059 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.450.558J","provenance":{"prov:wasGeneratedBy":"enrich_refer… | Added references with provenance; cas_numbers=['75-52-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_77701']; candidate_pubchem_cids=[6375]; selected_pubchem_cids=[6375]; 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 |
| 250,873 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CH3NO2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CH3NO2"],"… | rdkit_pre_consensus from 'C[N+](=O)[O-]'; added: monoisotopic_mass |
| 255,730 | chebi_altlabels | altLabel | [] | [{"@value":"CH3NO2","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensu… | Added 2 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 269,919 | consensus_match | altLabel | [{"@value":"CH3NO2","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensu… | [{"@value":"CH3NO2","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensu… | group_key=nitromethane||dimension=Environmental > media=Ground > geography=Agricultural; cas=75-52-5; added Common Chemistry CAS names as altLabel: Methane, nitro-, NM, NSC 428, Nitrocarbol; object_uuid=fo-68c8c767b021151d |
| 269,920 | consensus_match | cas_match_labels | — | {"75-52-5":"exactMatch"} | group_key=nitromethane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'75-52-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-68c8c767b021151d: {'75-52-5': 'exactMatch'} |
| 276,060 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CH3NO2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CH3NO2"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Nitromethane' |
| 282,631 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CH3NO2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CH3NO2"],"… | rdkit_post_consensus from 'C[N+](=O)[O-]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,213 | strip_catalogue_altlabels | altLabel | [{"@value":"CH3NO2","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensu… | [{"@value":"CH3NO2","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensu… | Removed 1 catalogue altLabel value(s): 'NSC 428' (registry code) |
| 342,836 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/7c4a4ceb-be99-… | associations resolved on the elementary layer |
| 390,429 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CH3NO2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CH3NO2"],"… | typed the way the ontology types it |
| 398,020 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
20 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/20260920T1042228874600000/9273 | prefLabel | ef:agent/bootstrap_labels | ef:flow/7c4a4ceb-be99-4246-b03b-004b9ca0f537/v0 | ef:flow/7c4a4ceb-be99-4246-b03b-004b9ca0f537/v1 |
| ef:activity/change/20260920T1042228874600000/9274 | name | ef:agent/bootstrap_labels | ef:flow/7c4a4ceb-be99-4246-b03b-004b9ca0f537/v1 | ef:flow/7c4a4ceb-be99-4246-b03b-004b9ca0f537/v2 |
| ef:activity/change/20260920T1042228874600000/23836 | synonyms | ef:agent/bootstrap_labels | ef:flow/7c4a4ceb-be99-4246-b03b-004b9ca0f537/v2 | ef:flow/7c4a4ceb-be99-4246-b03b-004b9ca0f537/v3 |
| ef:activity/change/20260920T1042228874600000/123607 | context | ef:agent/default_context_mapping | ef:flow/7c4a4ceb-be99-4246-b03b-004b9ca0f537/v3 | ef:flow/7c4a4ceb-be99-4246-b03b-004b9ca0f537/v4 |
| ef:activity/change/20260920T1042228874600000/123608 | context_iri | ef:agent/default_context_mapping | ef:flow/7c4a4ceb-be99-4246-b03b-004b9ca0f537/v4 | ef:flow/7c4a4ceb-be99-4246-b03b-004b9ca0f537/v5 |
| ef:activity/change/20260920T1042228874600000/216427 | unit_iri | ef:agent/unit_normalization | ef:flow/7c4a4ceb-be99-4246-b03b-004b9ca0f537/v5 | ef:flow/7c4a4ceb-be99-4246-b03b-004b9ca0f537/v6 |
| ef:activity/change/20260920T1042228874600000/223283 | prefLabel | ef:agent/normalize_name_case | ef:flow/7c4a4ceb-be99-4246-b03b-004b9ca0f537/v6 | ef:flow/7c4a4ceb-be99-4246-b03b-004b9ca0f537/v7 |
| ef:activity/change/20260920T1042228874600000/236057 | properties | ef:agent/enrich_references | ef:flow/7c4a4ceb-be99-4246-b03b-004b9ca0f537/v7 | ef:flow/7c4a4ceb-be99-4246-b03b-004b9ca0f537/v8 |
| ef:activity/change/20260920T1042228874600000/236058 | skos_definition | ef:agent/enrich_references | ef:flow/7c4a4ceb-be99-4246-b03b-004b9ca0f537/v8 | ef:flow/7c4a4ceb-be99-4246-b03b-004b9ca0f537/v9 |
| ef:activity/change/20260920T1042228874600000/236059 | references | ef:agent/enrich_references | ef:flow/7c4a4ceb-be99-4246-b03b-004b9ca0f537/v9 | ef:flow/7c4a4ceb-be99-4246-b03b-004b9ca0f537/v10 |
| ef:activity/change/20260920T1042228874600000/250873 | properties | ef:agent/rdkit_pre_consensus | ef:flow/7c4a4ceb-be99-4246-b03b-004b9ca0f537/v10 | ef:flow/7c4a4ceb-be99-4246-b03b-004b9ca0f537/v11 |
| ef:activity/change/20260920T1042228874600000/255730 | altLabel | ef:agent/chebi_altlabels | ef:flow/7c4a4ceb-be99-4246-b03b-004b9ca0f537/v11 | ef:flow/7c4a4ceb-be99-4246-b03b-004b9ca0f537/v12 |
| ef:activity/change/20260920T1042228874600000/269919 | altLabel | ef:agent/consensus_match | ef:flow/7c4a4ceb-be99-4246-b03b-004b9ca0f537/v12 | ef:flow/7c4a4ceb-be99-4246-b03b-004b9ca0f537/v13 |
| ef:activity/change/20260920T1042228874600000/269920 | cas_match_labels | ef:agent/consensus_match | ef:flow/7c4a4ceb-be99-4246-b03b-004b9ca0f537/v13 | ef:flow/7c4a4ceb-be99-4246-b03b-004b9ca0f537/v14 |
| ef:activity/change/20260920T1042228874600000/276060 | properties | ef:agent/opsin_iupac | ef:flow/7c4a4ceb-be99-4246-b03b-004b9ca0f537/v14 | ef:flow/7c4a4ceb-be99-4246-b03b-004b9ca0f537/v15 |
| ef:activity/change/20260920T1042228874600000/282631 | properties | ef:agent/rdkit_post_consensus | ef:flow/7c4a4ceb-be99-4246-b03b-004b9ca0f537/v15 | ef:flow/7c4a4ceb-be99-4246-b03b-004b9ca0f537/v16 |
| ef:activity/change/20260920T1042228874600000/289213 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/7c4a4ceb-be99-4246-b03b-004b9ca0f537/v16 | ef:flow/7c4a4ceb-be99-4246-b03b-004b9ca0f537/v17 |
| ef:activity/change/20260920T1042228874600000/342836 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/7c4a4ceb-be99-4246-b03b-004b9ca0f537/v17 | ef:flow/7c4a4ceb-be99-4246-b03b-004b9ca0f537/v18 |
| ef:activity/change/20260920T1042228874600000/390429 | properties | ef:agent/normalise_property_values | ef:flow/7c4a4ceb-be99-4246-b03b-004b9ca0f537/v18 | ef:flow/7c4a4ceb-be99-4246-b03b-004b9ca0f537/v19 |
| ef:activity/change/20260920T1042228874600000/398020 | types | ef:agent/link_flows_to_their_substance | ef:flow/7c4a4ceb-be99-4246-b03b-004b9ca0f537/v19 | ef:flow/7c4a4ceb-be99-4246-b03b-004b9ca0f537/v20 |