Tetranitromethane
Everything that changed this flow. Back to the flow
4d9a8790-3ddd-11dd-9bf1-0050c2490048
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 1 catalogue altLabel value(s): 'NSC 16146' (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=tetranitromethane||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'509-14-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-584312c48ffc8071: {'509-14-8': '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 urban air close to ground |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['509-14-8']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_82372']; candidate_pubchem_cids=[10509]; selected_pubchem_cids=[10509]; 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 |
|---|---|---|---|---|---|
| 11,597 | bootstrap_labels | prefLabel | — | [{"@value":"tetranitromethane","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedT… | Bootstrapped prefLabel from legacy name field |
| 11,598 | bootstrap_labels | name | tetranitromethane | — | Purged legacy name field to enforce prefLabel usage |
| 11,599 | bootstrap_labels | synonyms | ["AC1L1VCV","Methane, tetranitro-","NCI-C55947","TNM","Tetan"] | [] | Removed legacy synonyms field in favor of structured labels |
| 95,102 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Ground level","population_density":"Urban (>1000 people/square mil… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 95,103 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 217,185 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,788 | normalize_name_case | prefLabel | [{"@value":"tetranitromethane","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedT… | [{"@value":"Tetranitromethane","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedT… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 238,218 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CN4O8"],"a… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 238,219 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 238,220 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.639K","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['509-14-8']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_82372']; candidate_pubchem_cids=[10509]; selected_pubchem_cids=[10509]; 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 |
| 251,489 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CN4O8"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CN4O8"],"a… | rdkit_pre_consensus from 'C([N+](=O)[O-])([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]'; added: monoisotopic_mass |
| 272,495 | consensus_match | altLabel | [] | [{"@value":"MeSH ID: D013774","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo"… | group_key=tetranitromethane||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=509-14-8; added Common Chemistry CAS names as altLabel: MeSH ID: D013774, Methane, tetranitro-, NSC 16146, TNM; object_uuid=fo-584312c48ffc8071 |
| 272,496 | consensus_match | cas_match_labels | — | {"509-14-8":"exactMatch"} | group_key=tetranitromethane||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'509-14-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-584312c48ffc8071: {'509-14-8': 'exactMatch'} |
| 276,669 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CN4O8"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CN4O8"],"a… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Tetranitromethane' |
| 283,296 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CN4O8"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CN4O8"],"a… | rdkit_post_consensus from 'O=[N+]([O-])C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,643 | strip_catalogue_altlabels | altLabel | [{"@value":"MeSH ID: D013774","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo"… | [{"@value":"MeSH ID: D013774","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo"… | Removed 1 catalogue altLabel value(s): 'NSC 16146' (registry code) |
| 328,549 | 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 |
| 391,023 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CN4O8"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CN4O8"],"a… | typed the way the ontology types it |
| 398,888 | 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/20260821T1554374006150000/11597 | prefLabel | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-9bf1-0050c2490048/v0 | ef:flow/4d9a8790-3ddd-11dd-9bf1-0050c2490048/v1 |
| ef:activity/change/20260821T1554374006150000/11598 | name | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-9bf1-0050c2490048/v1 | ef:flow/4d9a8790-3ddd-11dd-9bf1-0050c2490048/v2 |
| ef:activity/change/20260821T1554374006150000/11599 | synonyms | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-9bf1-0050c2490048/v2 | ef:flow/4d9a8790-3ddd-11dd-9bf1-0050c2490048/v3 |
| ef:activity/change/20260821T1554374006150000/95102 | context | ef:agent/default_context_mapping | ef:flow/4d9a8790-3ddd-11dd-9bf1-0050c2490048/v3 | ef:flow/4d9a8790-3ddd-11dd-9bf1-0050c2490048/v4 |
| ef:activity/change/20260821T1554374006150000/95103 | context_iri | ef:agent/default_context_mapping | ef:flow/4d9a8790-3ddd-11dd-9bf1-0050c2490048/v4 | ef:flow/4d9a8790-3ddd-11dd-9bf1-0050c2490048/v5 |
| ef:activity/change/20260821T1554374006150000/217185 | unit_iri | ef:agent/unit_normalization | ef:flow/4d9a8790-3ddd-11dd-9bf1-0050c2490048/v5 | ef:flow/4d9a8790-3ddd-11dd-9bf1-0050c2490048/v6 |
| ef:activity/change/20260821T1554374006150000/223788 | prefLabel | ef:agent/normalize_name_case | ef:flow/4d9a8790-3ddd-11dd-9bf1-0050c2490048/v6 | ef:flow/4d9a8790-3ddd-11dd-9bf1-0050c2490048/v7 |
| ef:activity/change/20260821T1554374006150000/238218 | properties | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-9bf1-0050c2490048/v7 | ef:flow/4d9a8790-3ddd-11dd-9bf1-0050c2490048/v8 |
| ef:activity/change/20260821T1554374006150000/238219 | skos_definition | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-9bf1-0050c2490048/v8 | ef:flow/4d9a8790-3ddd-11dd-9bf1-0050c2490048/v9 |
| ef:activity/change/20260821T1554374006150000/238220 | references | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-9bf1-0050c2490048/v9 | ef:flow/4d9a8790-3ddd-11dd-9bf1-0050c2490048/v10 |
| ef:activity/change/20260821T1554374006150000/251489 | properties | ef:agent/rdkit_pre_consensus | ef:flow/4d9a8790-3ddd-11dd-9bf1-0050c2490048/v10 | ef:flow/4d9a8790-3ddd-11dd-9bf1-0050c2490048/v11 |
| ef:activity/change/20260821T1554374006150000/272495 | altLabel | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-9bf1-0050c2490048/v11 | ef:flow/4d9a8790-3ddd-11dd-9bf1-0050c2490048/v12 |
| ef:activity/change/20260821T1554374006150000/272496 | cas_match_labels | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-9bf1-0050c2490048/v12 | ef:flow/4d9a8790-3ddd-11dd-9bf1-0050c2490048/v13 |
| ef:activity/change/20260821T1554374006150000/276669 | properties | ef:agent/opsin_iupac | ef:flow/4d9a8790-3ddd-11dd-9bf1-0050c2490048/v13 | ef:flow/4d9a8790-3ddd-11dd-9bf1-0050c2490048/v14 |
| ef:activity/change/20260821T1554374006150000/283296 | properties | ef:agent/rdkit_post_consensus | ef:flow/4d9a8790-3ddd-11dd-9bf1-0050c2490048/v14 | ef:flow/4d9a8790-3ddd-11dd-9bf1-0050c2490048/v15 |
| ef:activity/change/20260821T1554374006150000/289643 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/4d9a8790-3ddd-11dd-9bf1-0050c2490048/v15 | ef:flow/4d9a8790-3ddd-11dd-9bf1-0050c2490048/v16 |
| ef:activity/change/20260821T1554374006150000/328549 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/4d9a8790-3ddd-11dd-9bf1-0050c2490048/v16 | ef:flow/4d9a8790-3ddd-11dd-9bf1-0050c2490048/v17 |
| ef:activity/change/20260821T1554374006150000/391023 | properties | ef:agent/normalise_property_values | ef:flow/4d9a8790-3ddd-11dd-9bf1-0050c2490048/v17 | ef:flow/4d9a8790-3ddd-11dd-9bf1-0050c2490048/v18 |
| ef:activity/change/20260821T1554374006150000/398888 | types | ef:agent/link_flows_to_their_substance | ef:flow/4d9a8790-3ddd-11dd-9bf1-0050c2490048/v18 | ef:flow/4d9a8790-3ddd-11dd-9bf1-0050c2490048/v19 |