Nitrothal-isopropyl
Everything that changed this flow. Back to the flow
40e69d34-ea25-4925-ab4e-e0e5b74484da
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 |
| prefLabel | 3 | bootstrap_labels, consensus_match, normalize_name_case | cas=10552-74-6; cc_chebi_agreed_name='Nitrothal-isopropyl'; object_uuid=fo-548e32aa16ead529 |
| altLabel | 2 | consensus_match | group_key=diisopropyl5-nitroisophthalate||dimension=Environmental > media=Ground > geography=Agricultural; cas=10552-74-6; added Common Chemistry CAS names as altLabel: 1,3-Benzenedicarboxylic acid, 5-nitro-, 1,3-bis(1-methylethyl) ester, 1,3-Benzenedicarboxylic acid, 5-nitro-, bis(1-methylethyl) ester, Isophthalic acid, 5-nitro-, diisopropyl ester, Pallitop; object_uuid=fo-548e32aa16ead529 |
| cas_match_labels | 1 | consensus_match | group_key=diisopropyl5-nitroisophthalate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'10552-74-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-548e32aa16ead529: {'10552-74-6': '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 lower stratosphere and upper troposphere |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['10552-74-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_82026']; candidate_pubchem_cids=[43704]; selected_pubchem_cids=[43704]; 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 |
|---|---|---|---|---|---|
| 21,959 | bootstrap_labels | prefLabel | — | [{"@value":"diisopropyl 5-nitroisophthalate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:… | Bootstrapped prefLabel from legacy name field |
| 21,960 | bootstrap_labels | name | diisopropyl 5-nitroisophthalate | — | Purged legacy name field to enforce prefLabel usage |
| 22,001 | bootstrap_labels | synonyms | ["diisopropyl5-nitroisophthalate","1,3-bis(propan-2-yl)5-nitrobenzene-1,3-dicarboxylate","1,3-Benzenedicarboxylic acid,… | [] | Removed legacy synonyms field in favor of structured labels |
| 80,052 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Aircraft cruise height"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 80,053 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-aicrhe | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 220,364 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 226,056 | normalize_name_case | prefLabel | [{"@value":"diisopropyl 5-nitroisophthalate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:… | [{"@value":"Diisopropyl 5-nitroisophthalate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 247,174 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H17NO6"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 247,175 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 247,176 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J10.453A","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['10552-74-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_82026']; candidate_pubchem_cids=[43704]; selected_pubchem_cids=[43704]; 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 |
| 254,083 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H17NO6"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H17NO6"… | rdkit_pre_consensus from 'CC(C)OC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC(C)C'; added: monoisotopic_mass |
| 266,006 | consensus_match | prefLabel | [{"@value":"Diisopropyl 5-nitroisophthalate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:… | [{"@value":"Nitrothal-isopropyl","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributed… | cas=10552-74-6; cc_chebi_agreed_name='Nitrothal-isopropyl'; object_uuid=fo-548e32aa16ead529 |
| 266,007 | consensus_match | altLabel | [] | [{"@value":"Diisopropyl 5-nitroisophthalate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:w… | cas=10552-74-6; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-548e32aa16ead529 |
| 266,008 | consensus_match | altLabel | [{"@value":"Diisopropyl 5-nitroisophthalate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:w… | [{"@value":"Diisopropyl 5-nitroisophthalate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:w… | group_key=diisopropyl5-nitroisophthalate||dimension=Environmental > media=Ground > geography=Agricultural; cas=10552-74-6; added Common Chemistry CAS names as altLabel: 1,3-Benzenedicarboxylic acid, 5-nitro-, 1,3-bis(1-methylethyl) ester, 1,3-Benzenedicarboxylic acid, 5-nitro-, bis(1-methylethyl) ester, Isophthalic acid, 5-nitro-, diisopropyl ester, Pallitop; object_uuid=fo-548e32aa16ead529 |
| 266,009 | consensus_match | cas_match_labels | — | {"10552-74-6":"exactMatch"} | group_key=diisopropyl5-nitroisophthalate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'10552-74-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-548e32aa16ead529: {'10552-74-6': 'exactMatch'} |
| 279,286 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H17NO6"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H17NO6"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Diisopropyl 5-nitroisophthalate' |
| 286,154 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H17NO6"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H17NO6"… | rdkit_post_consensus from 'CC(C)OC(=O)c1cc(C(=O)OC(C)C)cc([N+](=O)[O-])c1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 321,039 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/40e69d34-ea25-… | associations resolved on the elementary layer |
| 393,677 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H17NO6"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H17NO6"… | typed the way the ontology types it |
| 402,807 | 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/20260822T0600486828500000/21959 | prefLabel | ef:agent/bootstrap_labels | ef:flow/40e69d34-ea25-4925-ab4e-e0e5b74484da/v0 | ef:flow/40e69d34-ea25-4925-ab4e-e0e5b74484da/v1 |
| ef:activity/change/20260822T0600486828500000/21960 | name | ef:agent/bootstrap_labels | ef:flow/40e69d34-ea25-4925-ab4e-e0e5b74484da/v1 | ef:flow/40e69d34-ea25-4925-ab4e-e0e5b74484da/v2 |
| ef:activity/change/20260822T0600486828500000/22001 | synonyms | ef:agent/bootstrap_labels | ef:flow/40e69d34-ea25-4925-ab4e-e0e5b74484da/v2 | ef:flow/40e69d34-ea25-4925-ab4e-e0e5b74484da/v3 |
| ef:activity/change/20260822T0600486828500000/80052 | context | ef:agent/default_context_mapping | ef:flow/40e69d34-ea25-4925-ab4e-e0e5b74484da/v3 | ef:flow/40e69d34-ea25-4925-ab4e-e0e5b74484da/v4 |
| ef:activity/change/20260822T0600486828500000/80053 | context_iri | ef:agent/default_context_mapping | ef:flow/40e69d34-ea25-4925-ab4e-e0e5b74484da/v4 | ef:flow/40e69d34-ea25-4925-ab4e-e0e5b74484da/v5 |
| ef:activity/change/20260822T0600486828500000/220364 | unit_iri | ef:agent/unit_normalization | ef:flow/40e69d34-ea25-4925-ab4e-e0e5b74484da/v5 | ef:flow/40e69d34-ea25-4925-ab4e-e0e5b74484da/v6 |
| ef:activity/change/20260822T0600486828500000/226056 | prefLabel | ef:agent/normalize_name_case | ef:flow/40e69d34-ea25-4925-ab4e-e0e5b74484da/v6 | ef:flow/40e69d34-ea25-4925-ab4e-e0e5b74484da/v7 |
| ef:activity/change/20260822T0600486828500000/247174 | properties | ef:agent/enrich_references | ef:flow/40e69d34-ea25-4925-ab4e-e0e5b74484da/v7 | ef:flow/40e69d34-ea25-4925-ab4e-e0e5b74484da/v8 |
| ef:activity/change/20260822T0600486828500000/247175 | skos_definition | ef:agent/enrich_references | ef:flow/40e69d34-ea25-4925-ab4e-e0e5b74484da/v8 | ef:flow/40e69d34-ea25-4925-ab4e-e0e5b74484da/v9 |
| ef:activity/change/20260822T0600486828500000/247176 | references | ef:agent/enrich_references | ef:flow/40e69d34-ea25-4925-ab4e-e0e5b74484da/v9 | ef:flow/40e69d34-ea25-4925-ab4e-e0e5b74484da/v10 |
| ef:activity/change/20260822T0600486828500000/254083 | properties | ef:agent/rdkit_pre_consensus | ef:flow/40e69d34-ea25-4925-ab4e-e0e5b74484da/v10 | ef:flow/40e69d34-ea25-4925-ab4e-e0e5b74484da/v11 |
| ef:activity/change/20260822T0600486828500000/266006 | prefLabel | ef:agent/consensus_match | ef:flow/40e69d34-ea25-4925-ab4e-e0e5b74484da/v11 | ef:flow/40e69d34-ea25-4925-ab4e-e0e5b74484da/v12 |
| ef:activity/change/20260822T0600486828500000/266007 | altLabel | ef:agent/consensus_match | ef:flow/40e69d34-ea25-4925-ab4e-e0e5b74484da/v12 | ef:flow/40e69d34-ea25-4925-ab4e-e0e5b74484da/v13 |
| ef:activity/change/20260822T0600486828500000/266008 | altLabel | ef:agent/consensus_match | ef:flow/40e69d34-ea25-4925-ab4e-e0e5b74484da/v13 | ef:flow/40e69d34-ea25-4925-ab4e-e0e5b74484da/v14 |
| ef:activity/change/20260822T0600486828500000/266009 | cas_match_labels | ef:agent/consensus_match | ef:flow/40e69d34-ea25-4925-ab4e-e0e5b74484da/v14 | ef:flow/40e69d34-ea25-4925-ab4e-e0e5b74484da/v15 |
| ef:activity/change/20260822T0600486828500000/279286 | properties | ef:agent/opsin_iupac | ef:flow/40e69d34-ea25-4925-ab4e-e0e5b74484da/v15 | ef:flow/40e69d34-ea25-4925-ab4e-e0e5b74484da/v16 |
| ef:activity/change/20260822T0600486828500000/286154 | properties | ef:agent/rdkit_post_consensus | ef:flow/40e69d34-ea25-4925-ab4e-e0e5b74484da/v16 | ef:flow/40e69d34-ea25-4925-ab4e-e0e5b74484da/v17 |
| ef:activity/change/20260822T0600486828500000/321039 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/40e69d34-ea25-4925-ab4e-e0e5b74484da/v17 | ef:flow/40e69d34-ea25-4925-ab4e-e0e5b74484da/v18 |
| ef:activity/change/20260822T0600486828500000/393677 | properties | ef:agent/normalise_property_values | ef:flow/40e69d34-ea25-4925-ab4e-e0e5b74484da/v18 | ef:flow/40e69d34-ea25-4925-ab4e-e0e5b74484da/v19 |
| ef:activity/change/20260822T0600486828500000/402807 | types | ef:agent/link_flows_to_their_substance | ef:flow/40e69d34-ea25-4925-ab4e-e0e5b74484da/v19 | ef:flow/40e69d34-ea25-4925-ab4e-e0e5b74484da/v20 |