P-nitrobenzoic Acid-2-ethylhexylester
Everything that changed this flow. Back to the flow
cbacb8e8-612e-40fe-a32f-3862bba7ad4e
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, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| 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=p-nitrobenzoicacid-2-ethylhexylester||dimension=Environmental > media=Water > water_body=Ocean; group_sources=[]; cas_sources={'16397-70-9': []}; assigned CAS labels from group consensus; object_uuid=fo-29489efa935e99c1: {'16397-70-9': '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=['16397-70-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[591313, 57373857]; selected_pubchem_cids=[591313]; 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 |
|---|---|---|---|---|---|
| 4,512 | bootstrap_labels | prefLabel | — | [{"@value":"p-nitrobenzoic acid-2-ethylhexylester","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels",… | Bootstrapped prefLabel from legacy name field |
| 4,513 | bootstrap_labels | name | p-nitrobenzoic acid-2-ethylhexylester | — | Purged legacy name field to enforce prefLabel usage |
| 4,514 | bootstrap_labels | synonyms | ["organic","benzoicacid,4-nitro-,2-ethylhexylester"] | [] | Removed legacy synonyms field in favor of structured labels |
| 170,380 | 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 |
| 170,381 | 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 |
| 214,846 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,127 | normalize_name_case | prefLabel | [{"@value":"p-nitrobenzoic acid-2-ethylhexylester","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels",… | [{"@value":"P-nitrobenzoic Acid-2-ethylhexylester","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels",… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 231,519 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H21NO4"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 231,520 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 231,521 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=16397-70-9","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['16397-70-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[591313, 57373857]; selected_pubchem_cids=[591313]; 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 |
| 249,563 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H21NO4"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H21NO4"… | rdkit_pre_consensus from 'CCCCC(CC)COC(=O)C1=CC=C(C=C1)[N+](=O)[O-]'; added: molecular_mass, monoisotopic_mass |
| 270,316 | consensus_match | altLabel | [] | [{"@value":"2-Ethylhexyl 4-nitrobenzoate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasA… | group_key=p-nitrobenzoicacid-2-ethylhexylester||dimension=Environmental > media=Water > water_body=Ocean; cas=16397-70-9; added Common Chemistry CAS names as altLabel: 2-Ethylhexyl 4-nitrobenzoate, 2-Ethylhexyl <em>p</em>-nitrobenzoate, Benzoic acid, 4-nitro-, 2-ethylhexyl ester, Benzoic acid, <em>p</em>-nitro-, 2-ethylhexyl ester; object_uuid=fo-29489efa935e99c1 |
| 270,317 | consensus_match | cas_match_labels | — | {"16397-70-9":"exactMatch"} | group_key=p-nitrobenzoicacid-2-ethylhexylester||dimension=Environmental > media=Water > water_body=Ocean; group_sources=[]; cas_sources={'16397-70-9': []}; assigned CAS labels from group consensus; object_uuid=fo-29489efa935e99c1: {'16397-70-9': 'exactMatch'} |
| 274,698 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H21NO4"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H21NO4"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-Ethylhexyl 4-nitrobenzoate' |
| 281,158 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H21NO4"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H21NO4"… | rdkit_post_consensus from 'CCCCC(CC)COC(=O)c1ccc([N+](=O)[O-])cc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,208 | dedupe_altlabels | altLabel | [{"@value":"2-Ethylhexyl 4-nitrobenzoate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasA… | [{"@value":"2-Ethylhexyl 4-nitrobenzoate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasA… | Deduplicated altLabel values and removed entries matching prefLabel |
| 366,216 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/cbacb8e8-612e-… | associations resolved on the elementary layer |
| 389,006 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H21NO4"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H21NO4"… | typed the way the ontology types it |
| 395,973 | 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/20260821T1554374006150000/4512 | prefLabel | ef:agent/bootstrap_labels | ef:flow/cbacb8e8-612e-40fe-a32f-3862bba7ad4e/v0 | ef:flow/cbacb8e8-612e-40fe-a32f-3862bba7ad4e/v1 |
| ef:activity/change/20260821T1554374006150000/4513 | name | ef:agent/bootstrap_labels | ef:flow/cbacb8e8-612e-40fe-a32f-3862bba7ad4e/v1 | ef:flow/cbacb8e8-612e-40fe-a32f-3862bba7ad4e/v2 |
| ef:activity/change/20260821T1554374006150000/4514 | synonyms | ef:agent/bootstrap_labels | ef:flow/cbacb8e8-612e-40fe-a32f-3862bba7ad4e/v2 | ef:flow/cbacb8e8-612e-40fe-a32f-3862bba7ad4e/v3 |
| ef:activity/change/20260821T1554374006150000/170380 | context | ef:agent/default_context_mapping | ef:flow/cbacb8e8-612e-40fe-a32f-3862bba7ad4e/v3 | ef:flow/cbacb8e8-612e-40fe-a32f-3862bba7ad4e/v4 |
| ef:activity/change/20260821T1554374006150000/170381 | context_iri | ef:agent/default_context_mapping | ef:flow/cbacb8e8-612e-40fe-a32f-3862bba7ad4e/v4 | ef:flow/cbacb8e8-612e-40fe-a32f-3862bba7ad4e/v5 |
| ef:activity/change/20260821T1554374006150000/214846 | unit_iri | ef:agent/unit_normalization | ef:flow/cbacb8e8-612e-40fe-a32f-3862bba7ad4e/v5 | ef:flow/cbacb8e8-612e-40fe-a32f-3862bba7ad4e/v6 |
| ef:activity/change/20260821T1554374006150000/222127 | prefLabel | ef:agent/normalize_name_case | ef:flow/cbacb8e8-612e-40fe-a32f-3862bba7ad4e/v6 | ef:flow/cbacb8e8-612e-40fe-a32f-3862bba7ad4e/v7 |
| ef:activity/change/20260821T1554374006150000/231519 | properties | ef:agent/enrich_references | ef:flow/cbacb8e8-612e-40fe-a32f-3862bba7ad4e/v7 | ef:flow/cbacb8e8-612e-40fe-a32f-3862bba7ad4e/v8 |
| ef:activity/change/20260821T1554374006150000/231520 | skos_definition | ef:agent/enrich_references | ef:flow/cbacb8e8-612e-40fe-a32f-3862bba7ad4e/v8 | ef:flow/cbacb8e8-612e-40fe-a32f-3862bba7ad4e/v9 |
| ef:activity/change/20260821T1554374006150000/231521 | references | ef:agent/enrich_references | ef:flow/cbacb8e8-612e-40fe-a32f-3862bba7ad4e/v9 | ef:flow/cbacb8e8-612e-40fe-a32f-3862bba7ad4e/v10 |
| ef:activity/change/20260821T1554374006150000/249563 | properties | ef:agent/rdkit_pre_consensus | ef:flow/cbacb8e8-612e-40fe-a32f-3862bba7ad4e/v10 | ef:flow/cbacb8e8-612e-40fe-a32f-3862bba7ad4e/v11 |
| ef:activity/change/20260821T1554374006150000/270316 | altLabel | ef:agent/consensus_match | ef:flow/cbacb8e8-612e-40fe-a32f-3862bba7ad4e/v11 | ef:flow/cbacb8e8-612e-40fe-a32f-3862bba7ad4e/v12 |
| ef:activity/change/20260821T1554374006150000/270317 | cas_match_labels | ef:agent/consensus_match | ef:flow/cbacb8e8-612e-40fe-a32f-3862bba7ad4e/v12 | ef:flow/cbacb8e8-612e-40fe-a32f-3862bba7ad4e/v13 |
| ef:activity/change/20260821T1554374006150000/274698 | properties | ef:agent/opsin_iupac | ef:flow/cbacb8e8-612e-40fe-a32f-3862bba7ad4e/v13 | ef:flow/cbacb8e8-612e-40fe-a32f-3862bba7ad4e/v14 |
| ef:activity/change/20260821T1554374006150000/281158 | properties | ef:agent/rdkit_post_consensus | ef:flow/cbacb8e8-612e-40fe-a32f-3862bba7ad4e/v14 | ef:flow/cbacb8e8-612e-40fe-a32f-3862bba7ad4e/v15 |
| ef:activity/change/20260821T1554374006150000/292208 | altLabel | ef:agent/dedupe_altlabels | ef:flow/cbacb8e8-612e-40fe-a32f-3862bba7ad4e/v15 | ef:flow/cbacb8e8-612e-40fe-a32f-3862bba7ad4e/v16 |
| ef:activity/change/20260821T1554374006150000/366216 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/cbacb8e8-612e-40fe-a32f-3862bba7ad4e/v16 | ef:flow/cbacb8e8-612e-40fe-a32f-3862bba7ad4e/v17 |
| ef:activity/change/20260821T1554374006150000/389006 | properties | ef:agent/normalise_property_values | ef:flow/cbacb8e8-612e-40fe-a32f-3862bba7ad4e/v17 | ef:flow/cbacb8e8-612e-40fe-a32f-3862bba7ad4e/v18 |
| ef:activity/change/20260821T1554374006150000/395973 | types | ef:agent/link_flows_to_their_substance | ef:flow/cbacb8e8-612e-40fe-a32f-3862bba7ad4e/v18 | ef:flow/cbacb8e8-612e-40fe-a32f-3862bba7ad4e/v19 |