5-nitroisophthalic Acid
Everything that changed this flow. Back to the flow
30a565f1-4fa0-4fd6-afbb-cd2927f44872
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 66545' (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=5-nitroisophthalicacid||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'618-88-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b1bc1ba683f12b36: {'618-88-2': '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=['618-88-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[12069]; selected_pubchem_cids=[12069]; 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 |
|---|---|---|---|---|---|
| 3,044 | bootstrap_labels | prefLabel | — | [{"@value":"5-nitroisophthalic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttri… | Bootstrapped prefLabel from legacy name field |
| 3,045 | bootstrap_labels | name | 5-nitroisophthalic acid | — | Purged legacy name field to enforce prefLabel usage |
| 3,046 | bootstrap_labels | synonyms | ["organic","5-nitroisophthalicacid"] | [] | Removed legacy synonyms field in favor of structured labels |
| 68,894 | 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 |
| 68,895 | 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 |
| 214,355 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,789 | normalize_name_case | prefLabel | [{"@value":"5-nitroisophthalic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttri… | [{"@value":"5-nitroisophthalic Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttri… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 230,103 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H5NO6"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 230,104 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 230,105 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.049.919D","provenance":{"prov:wasGeneratedBy":"enrich_refer… | Added references with provenance; cas_numbers=['618-88-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[12069]; selected_pubchem_cids=[12069]; 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 |
| 249,161 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H5NO6"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H5NO6"],… | rdkit_pre_consensus from 'C1=C(C=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O'; added: molecular_mass, monoisotopic_mass |
| 263,150 | consensus_match | altLabel | [] | [{"@value":"1,3-Benzenedicarboxylic acid, 5-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match",… | group_key=5-nitroisophthalicacid||dimension=Environmental > media=Ground > geography=Agricultural; cas=618-88-2; added Common Chemistry CAS names as altLabel: 1,3-Benzenedicarboxylic acid, 5-nitro-, 1-Nitrobenzene-3,5-dicarboxylic acid, 5-Nitro-1,3-benzenedicarboxylic acid, 5-Nitro-<em>m</em>-phthalic acid, Isophthalic acid, 5-nitro-, NSC 66545; object_uuid=fo-b1bc1ba683f12b36 |
| 263,151 | consensus_match | cas_match_labels | — | {"618-88-2":"exactMatch"} | group_key=5-nitroisophthalicacid||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'618-88-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b1bc1ba683f12b36: {'618-88-2': 'exactMatch'} |
| 274,277 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H5NO6"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H5NO6"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '5-nitroisophthalic Acid' |
| 280,706 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H5NO6"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H5NO6"],… | rdkit_post_consensus from 'O=C(O)c1cc(C(=O)O)cc([N+](=O)[O-])c1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,852 | strip_catalogue_altlabels | altLabel | [{"@value":"1,3-Benzenedicarboxylic acid, 5-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match",… | [{"@value":"1,3-Benzenedicarboxylic acid, 5-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match",… | Removed 1 catalogue altLabel value(s): 'NSC 66545' (registry code) |
| 315,464 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/30a565f1-4fa0-… | associations resolved on the elementary layer |
| 388,572 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H5NO6"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H5NO6"],… | typed the way the ontology types it |
| 395,370 | 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/20260821T1554374006150000/3044 | prefLabel | ef:agent/bootstrap_labels | ef:flow/30a565f1-4fa0-4fd6-afbb-cd2927f44872/v0 | ef:flow/30a565f1-4fa0-4fd6-afbb-cd2927f44872/v1 |
| ef:activity/change/20260821T1554374006150000/3045 | name | ef:agent/bootstrap_labels | ef:flow/30a565f1-4fa0-4fd6-afbb-cd2927f44872/v1 | ef:flow/30a565f1-4fa0-4fd6-afbb-cd2927f44872/v2 |
| ef:activity/change/20260821T1554374006150000/3046 | synonyms | ef:agent/bootstrap_labels | ef:flow/30a565f1-4fa0-4fd6-afbb-cd2927f44872/v2 | ef:flow/30a565f1-4fa0-4fd6-afbb-cd2927f44872/v3 |
| ef:activity/change/20260821T1554374006150000/68894 | context | ef:agent/default_context_mapping | ef:flow/30a565f1-4fa0-4fd6-afbb-cd2927f44872/v3 | ef:flow/30a565f1-4fa0-4fd6-afbb-cd2927f44872/v4 |
| ef:activity/change/20260821T1554374006150000/68895 | context_iri | ef:agent/default_context_mapping | ef:flow/30a565f1-4fa0-4fd6-afbb-cd2927f44872/v4 | ef:flow/30a565f1-4fa0-4fd6-afbb-cd2927f44872/v5 |
| ef:activity/change/20260821T1554374006150000/214355 | unit_iri | ef:agent/unit_normalization | ef:flow/30a565f1-4fa0-4fd6-afbb-cd2927f44872/v5 | ef:flow/30a565f1-4fa0-4fd6-afbb-cd2927f44872/v6 |
| ef:activity/change/20260821T1554374006150000/221789 | prefLabel | ef:agent/normalize_name_case | ef:flow/30a565f1-4fa0-4fd6-afbb-cd2927f44872/v6 | ef:flow/30a565f1-4fa0-4fd6-afbb-cd2927f44872/v7 |
| ef:activity/change/20260821T1554374006150000/230103 | properties | ef:agent/enrich_references | ef:flow/30a565f1-4fa0-4fd6-afbb-cd2927f44872/v7 | ef:flow/30a565f1-4fa0-4fd6-afbb-cd2927f44872/v8 |
| ef:activity/change/20260821T1554374006150000/230104 | skos_definition | ef:agent/enrich_references | ef:flow/30a565f1-4fa0-4fd6-afbb-cd2927f44872/v8 | ef:flow/30a565f1-4fa0-4fd6-afbb-cd2927f44872/v9 |
| ef:activity/change/20260821T1554374006150000/230105 | references | ef:agent/enrich_references | ef:flow/30a565f1-4fa0-4fd6-afbb-cd2927f44872/v9 | ef:flow/30a565f1-4fa0-4fd6-afbb-cd2927f44872/v10 |
| ef:activity/change/20260821T1554374006150000/249161 | properties | ef:agent/rdkit_pre_consensus | ef:flow/30a565f1-4fa0-4fd6-afbb-cd2927f44872/v10 | ef:flow/30a565f1-4fa0-4fd6-afbb-cd2927f44872/v11 |
| ef:activity/change/20260821T1554374006150000/263150 | altLabel | ef:agent/consensus_match | ef:flow/30a565f1-4fa0-4fd6-afbb-cd2927f44872/v11 | ef:flow/30a565f1-4fa0-4fd6-afbb-cd2927f44872/v12 |
| ef:activity/change/20260821T1554374006150000/263151 | cas_match_labels | ef:agent/consensus_match | ef:flow/30a565f1-4fa0-4fd6-afbb-cd2927f44872/v12 | ef:flow/30a565f1-4fa0-4fd6-afbb-cd2927f44872/v13 |
| ef:activity/change/20260821T1554374006150000/274277 | properties | ef:agent/opsin_iupac | ef:flow/30a565f1-4fa0-4fd6-afbb-cd2927f44872/v13 | ef:flow/30a565f1-4fa0-4fd6-afbb-cd2927f44872/v14 |
| ef:activity/change/20260821T1554374006150000/280706 | properties | ef:agent/rdkit_post_consensus | ef:flow/30a565f1-4fa0-4fd6-afbb-cd2927f44872/v14 | ef:flow/30a565f1-4fa0-4fd6-afbb-cd2927f44872/v15 |
| ef:activity/change/20260821T1554374006150000/287852 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/30a565f1-4fa0-4fd6-afbb-cd2927f44872/v15 | ef:flow/30a565f1-4fa0-4fd6-afbb-cd2927f44872/v16 |
| ef:activity/change/20260821T1554374006150000/315464 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/30a565f1-4fa0-4fd6-afbb-cd2927f44872/v16 | ef:flow/30a565f1-4fa0-4fd6-afbb-cd2927f44872/v17 |
| ef:activity/change/20260821T1554374006150000/388572 | properties | ef:agent/normalise_property_values | ef:flow/30a565f1-4fa0-4fd6-afbb-cd2927f44872/v17 | ef:flow/30a565f1-4fa0-4fd6-afbb-cd2927f44872/v18 |
| ef:activity/change/20260821T1554374006150000/395370 | types | ef:agent/link_flows_to_their_substance | ef:flow/30a565f1-4fa0-4fd6-afbb-cd2927f44872/v18 | ef:flow/30a565f1-4fa0-4fd6-afbb-cd2927f44872/v19 |