2-(2-formyl-4-nitrophenoxy)hexanoic Acid
Everything that changed this flow. Back to the flow
0b851e16-5a90-4d07-9b28-7ae6ca40f873
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 | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| altLabel | 1 | consensus_match | group_key=2-(2-formyl-4-nitrophenoxy)hexanoicacid||dimension=Environmental > media=Air > strata=Unknown; cas=335153-21-4; added Common Chemistry CAS names as altLabel: 2-(2′-Formyl-4′-nitrophenoxy)caproic acid, Hexanoic acid, 2-(2-formyl-4-nitrophenoxy)-; object_uuid=fo-85aa3fe198ee7bd3 |
| cas_match_labels | 1 | consensus_match | group_key=2-(2-formyl-4-nitrophenoxy)hexanoicacid||dimension=Environmental > media=Air > strata=Unknown; group_sources=['pubchem']; cas_sources={'335153-21-4': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-85aa3fe198ee7bd3: {'335153-21-4': '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, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['335153-21-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[11173557]; selected_pubchem_cids=[11173557]; 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
18| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 10,600 | bootstrap_labels | prefLabel | — | [{"@value":"2-(2-formyl-4-nitrophenoxy)hexanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_label… | Bootstrapped prefLabel from legacy name field |
| 10,601 | bootstrap_labels | name | 2-(2-formyl-4-nitrophenoxy)hexanoic acid | — | Purged legacy name field to enforce prefLabel usage |
| 10,602 | bootstrap_labels | synonyms | ["organic","hexanoicacid,2-(2-formyl-4-nitrophenoxy)-othernameshexanoicacid,2-(2-formyl-4-nitrophenoxy)"] | [] | Removed legacy synonyms field in favor of structured labels |
| 43,292 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 43,293 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 216,855 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,573 | normalize_name_case | prefLabel | [{"@value":"2-(2-formyl-4-nitrophenoxy)hexanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_label… | [{"@value":"2-(2-formyl-4-nitrophenoxy)hexanoic Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_label… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 237,275 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H15NO6"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 237,276 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 237,277 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.107.479","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['335153-21-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[11173557]; selected_pubchem_cids=[11173557]; 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 |
| 251,213 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H15NO6"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H15NO6"… | rdkit_pre_consensus from 'CCCCC(C(=O)O)OC1=C(C=C(C=C1)[N+](=O)[O-])C=O'; added: molecular_mass, monoisotopic_mass |
| 260,250 | consensus_match | altLabel | [] | [{"@value":"2-(2′-Formyl-4′-nitrophenoxy)caproic acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_matc… | group_key=2-(2-formyl-4-nitrophenoxy)hexanoicacid||dimension=Environmental > media=Air > strata=Unknown; cas=335153-21-4; added Common Chemistry CAS names as altLabel: 2-(2′-Formyl-4′-nitrophenoxy)caproic acid, Hexanoic acid, 2-(2-formyl-4-nitrophenoxy)-; object_uuid=fo-85aa3fe198ee7bd3 |
| 260,251 | consensus_match | cas_match_labels | — | {"335153-21-4":"exactMatch"} | group_key=2-(2-formyl-4-nitrophenoxy)hexanoicacid||dimension=Environmental > media=Air > strata=Unknown; group_sources=['pubchem']; cas_sources={'335153-21-4': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-85aa3fe198ee7bd3: {'335153-21-4': 'exactMatch'} |
| 276,398 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H15NO6"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H15NO6"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-(2-formyl-4-nitrophenoxy)hexanoic Acid' |
| 282,998 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H15NO6"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H15NO6"… | rdkit_post_consensus from 'CCCCC(Oc1ccc([N+](=O)[O-])cc1C=O)C(=O)O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 302,672 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/0b851e16-5a90-… | associations resolved on the elementary layer |
| 390,750 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H15NO6"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H15NO6"… | typed the way the ontology types it |
| 398,506 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
18 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/20260821T1554374006150000/10600 | prefLabel | ef:agent/bootstrap_labels | ef:flow/0b851e16-5a90-4d07-9b28-7ae6ca40f873/v0 | ef:flow/0b851e16-5a90-4d07-9b28-7ae6ca40f873/v1 |
| ef:activity/change/20260821T1554374006150000/10601 | name | ef:agent/bootstrap_labels | ef:flow/0b851e16-5a90-4d07-9b28-7ae6ca40f873/v1 | ef:flow/0b851e16-5a90-4d07-9b28-7ae6ca40f873/v2 |
| ef:activity/change/20260821T1554374006150000/10602 | synonyms | ef:agent/bootstrap_labels | ef:flow/0b851e16-5a90-4d07-9b28-7ae6ca40f873/v2 | ef:flow/0b851e16-5a90-4d07-9b28-7ae6ca40f873/v3 |
| ef:activity/change/20260821T1554374006150000/43292 | context | ef:agent/default_context_mapping | ef:flow/0b851e16-5a90-4d07-9b28-7ae6ca40f873/v3 | ef:flow/0b851e16-5a90-4d07-9b28-7ae6ca40f873/v4 |
| ef:activity/change/20260821T1554374006150000/43293 | context_iri | ef:agent/default_context_mapping | ef:flow/0b851e16-5a90-4d07-9b28-7ae6ca40f873/v4 | ef:flow/0b851e16-5a90-4d07-9b28-7ae6ca40f873/v5 |
| ef:activity/change/20260821T1554374006150000/216855 | unit_iri | ef:agent/unit_normalization | ef:flow/0b851e16-5a90-4d07-9b28-7ae6ca40f873/v5 | ef:flow/0b851e16-5a90-4d07-9b28-7ae6ca40f873/v6 |
| ef:activity/change/20260821T1554374006150000/223573 | prefLabel | ef:agent/normalize_name_case | ef:flow/0b851e16-5a90-4d07-9b28-7ae6ca40f873/v6 | ef:flow/0b851e16-5a90-4d07-9b28-7ae6ca40f873/v7 |
| ef:activity/change/20260821T1554374006150000/237275 | properties | ef:agent/enrich_references | ef:flow/0b851e16-5a90-4d07-9b28-7ae6ca40f873/v7 | ef:flow/0b851e16-5a90-4d07-9b28-7ae6ca40f873/v8 |
| ef:activity/change/20260821T1554374006150000/237276 | skos_definition | ef:agent/enrich_references | ef:flow/0b851e16-5a90-4d07-9b28-7ae6ca40f873/v8 | ef:flow/0b851e16-5a90-4d07-9b28-7ae6ca40f873/v9 |
| ef:activity/change/20260821T1554374006150000/237277 | references | ef:agent/enrich_references | ef:flow/0b851e16-5a90-4d07-9b28-7ae6ca40f873/v9 | ef:flow/0b851e16-5a90-4d07-9b28-7ae6ca40f873/v10 |
| ef:activity/change/20260821T1554374006150000/251213 | properties | ef:agent/rdkit_pre_consensus | ef:flow/0b851e16-5a90-4d07-9b28-7ae6ca40f873/v10 | ef:flow/0b851e16-5a90-4d07-9b28-7ae6ca40f873/v11 |
| ef:activity/change/20260821T1554374006150000/260250 | altLabel | ef:agent/consensus_match | ef:flow/0b851e16-5a90-4d07-9b28-7ae6ca40f873/v11 | ef:flow/0b851e16-5a90-4d07-9b28-7ae6ca40f873/v12 |
| ef:activity/change/20260821T1554374006150000/260251 | cas_match_labels | ef:agent/consensus_match | ef:flow/0b851e16-5a90-4d07-9b28-7ae6ca40f873/v12 | ef:flow/0b851e16-5a90-4d07-9b28-7ae6ca40f873/v13 |
| ef:activity/change/20260821T1554374006150000/276398 | properties | ef:agent/opsin_iupac | ef:flow/0b851e16-5a90-4d07-9b28-7ae6ca40f873/v13 | ef:flow/0b851e16-5a90-4d07-9b28-7ae6ca40f873/v14 |
| ef:activity/change/20260821T1554374006150000/282998 | properties | ef:agent/rdkit_post_consensus | ef:flow/0b851e16-5a90-4d07-9b28-7ae6ca40f873/v14 | ef:flow/0b851e16-5a90-4d07-9b28-7ae6ca40f873/v15 |
| ef:activity/change/20260821T1554374006150000/302672 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/0b851e16-5a90-4d07-9b28-7ae6ca40f873/v15 | ef:flow/0b851e16-5a90-4d07-9b28-7ae6ca40f873/v16 |
| ef:activity/change/20260821T1554374006150000/390750 | properties | ef:agent/normalise_property_values | ef:flow/0b851e16-5a90-4d07-9b28-7ae6ca40f873/v16 | ef:flow/0b851e16-5a90-4d07-9b28-7ae6ca40f873/v17 |
| ef:activity/change/20260821T1554374006150000/398506 | types | ef:agent/link_flows_to_their_substance | ef:flow/0b851e16-5a90-4d07-9b28-7ae6ca40f873/v17 | ef:flow/0b851e16-5a90-4d07-9b28-7ae6ca40f873/v18 |