Barium Neodecanoate
Everything that changed this flow. Back to the flow
6f56b895-c852-434e-9f88-1d62a62d5fef
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus, withhold_ambiguous_mass | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 4 candidate structures, so no one mass describes 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=bariumneodecanoate||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); cas=55172-98-0; added Common Chemistry CAS names as altLabel: Neodecanoic acid, barium salt, Neodecanoic acid, barium salt (2:1); object_uuid=fo-572e42b19b3a79a3 |
| cas_match_labels | 1 | consensus_match | group_key=bariumneodecanoate||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'55172-98-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-572e42b19b3a79a3: {'55172-98-0': '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 water > Emissions to fresh water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['55172-98-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[108681, 111526, 162678, 14513574, 73555865, 90473403]; selected_pubchem_cids=[108681, 111526, 14513574, 73555865]; 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 |
|---|---|---|---|---|---|
| 11,210 | bootstrap_labels | prefLabel | — | [{"@value":"barium neodecanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribute… | Bootstrapped prefLabel from legacy name field |
| 11,211 | bootstrap_labels | name | barium neodecanoate | — | Purged legacy name field to enforce prefLabel usage |
| 11,212 | bootstrap_labels | synonyms | ["organometallic","bariumneodecanoate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 116,099 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Surface water"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 116,100 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-suwa | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 217,058 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,714 | normalize_name_case | prefLabel | [{"@value":"barium neodecanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribute… | [{"@value":"Barium Neodecanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribute… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 237,850 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H38BaO4… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=4) |
| 237,851 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 237,852 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J332.590C","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['55172-98-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[108681, 111526, 162678, 14513574, 73555865, 90473403]; selected_pubchem_cids=[108681, 111526, 14513574, 73555865]; 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 |
| 251,388 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H38BaO4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H38BaO4… | rdkit_pre_consensus from 'CC(C)(C)CC(C)(C)CC(=O)[O-].CC(C)(C)CC(C)(C)CC(=O)[O-].[Ba+2]'; added: molecular_mass, monoisotopic_mass |
| 264,027 | consensus_match | altLabel | [] | [{"@value":"Neodecanoic acid, barium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:was… | group_key=bariumneodecanoate||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); cas=55172-98-0; added Common Chemistry CAS names as altLabel: Neodecanoic acid, barium salt, Neodecanoic acid, barium salt (2:1); object_uuid=fo-572e42b19b3a79a3 |
| 264,028 | consensus_match | cas_match_labels | — | {"55172-98-0":"exactMatch"} | group_key=bariumneodecanoate||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'55172-98-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-572e42b19b3a79a3: {'55172-98-0': 'exactMatch'} |
| 276,569 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H38BaO4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H38BaO4… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Barium Neodecanoate' |
| 283,186 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H38BaO4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H38BaO4… | rdkit_post_consensus from 'CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].[Ba+2]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 286,972 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H38BaO4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H38BaO4… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 4 candidate structures, so no one mass describes it |
| 339,085 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/6f56b895-c852-… | associations resolved on the elementary layer |
| 398,766 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | 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/20261019T0712047113160000/11210 | prefLabel | ef:agent/bootstrap_labels | ef:flow/6f56b895-c852-434e-9f88-1d62a62d5fef/v0 | ef:flow/6f56b895-c852-434e-9f88-1d62a62d5fef/v1 |
| ef:activity/change/20261019T0712047113160000/11211 | name | ef:agent/bootstrap_labels | ef:flow/6f56b895-c852-434e-9f88-1d62a62d5fef/v1 | ef:flow/6f56b895-c852-434e-9f88-1d62a62d5fef/v2 |
| ef:activity/change/20261019T0712047113160000/11212 | synonyms | ef:agent/bootstrap_labels | ef:flow/6f56b895-c852-434e-9f88-1d62a62d5fef/v2 | ef:flow/6f56b895-c852-434e-9f88-1d62a62d5fef/v3 |
| ef:activity/change/20261019T0712047113160000/116099 | context | ef:agent/default_context_mapping | ef:flow/6f56b895-c852-434e-9f88-1d62a62d5fef/v3 | ef:flow/6f56b895-c852-434e-9f88-1d62a62d5fef/v4 |
| ef:activity/change/20261019T0712047113160000/116100 | context_iri | ef:agent/default_context_mapping | ef:flow/6f56b895-c852-434e-9f88-1d62a62d5fef/v4 | ef:flow/6f56b895-c852-434e-9f88-1d62a62d5fef/v5 |
| ef:activity/change/20261019T0712047113160000/217058 | unit_iri | ef:agent/unit_normalization | ef:flow/6f56b895-c852-434e-9f88-1d62a62d5fef/v5 | ef:flow/6f56b895-c852-434e-9f88-1d62a62d5fef/v6 |
| ef:activity/change/20261019T0712047113160000/223714 | prefLabel | ef:agent/normalize_name_case | ef:flow/6f56b895-c852-434e-9f88-1d62a62d5fef/v6 | ef:flow/6f56b895-c852-434e-9f88-1d62a62d5fef/v7 |
| ef:activity/change/20261019T0712047113160000/237850 | properties | ef:agent/enrich_references | ef:flow/6f56b895-c852-434e-9f88-1d62a62d5fef/v7 | ef:flow/6f56b895-c852-434e-9f88-1d62a62d5fef/v8 |
| ef:activity/change/20261019T0712047113160000/237851 | skos_definition | ef:agent/enrich_references | ef:flow/6f56b895-c852-434e-9f88-1d62a62d5fef/v8 | ef:flow/6f56b895-c852-434e-9f88-1d62a62d5fef/v9 |
| ef:activity/change/20261019T0712047113160000/237852 | references | ef:agent/enrich_references | ef:flow/6f56b895-c852-434e-9f88-1d62a62d5fef/v9 | ef:flow/6f56b895-c852-434e-9f88-1d62a62d5fef/v10 |
| ef:activity/change/20261019T0712047113160000/251388 | properties | ef:agent/rdkit_pre_consensus | ef:flow/6f56b895-c852-434e-9f88-1d62a62d5fef/v10 | ef:flow/6f56b895-c852-434e-9f88-1d62a62d5fef/v11 |
| ef:activity/change/20261019T0712047113160000/264027 | altLabel | ef:agent/consensus_match | ef:flow/6f56b895-c852-434e-9f88-1d62a62d5fef/v11 | ef:flow/6f56b895-c852-434e-9f88-1d62a62d5fef/v12 |
| ef:activity/change/20261019T0712047113160000/264028 | cas_match_labels | ef:agent/consensus_match | ef:flow/6f56b895-c852-434e-9f88-1d62a62d5fef/v12 | ef:flow/6f56b895-c852-434e-9f88-1d62a62d5fef/v13 |
| ef:activity/change/20261019T0712047113160000/276569 | properties | ef:agent/opsin_iupac | ef:flow/6f56b895-c852-434e-9f88-1d62a62d5fef/v13 | ef:flow/6f56b895-c852-434e-9f88-1d62a62d5fef/v14 |
| ef:activity/change/20261019T0712047113160000/283186 | properties | ef:agent/rdkit_post_consensus | ef:flow/6f56b895-c852-434e-9f88-1d62a62d5fef/v14 | ef:flow/6f56b895-c852-434e-9f88-1d62a62d5fef/v15 |
| ef:activity/change/20261019T0712047113160000/286972 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/6f56b895-c852-434e-9f88-1d62a62d5fef/v15 | ef:flow/6f56b895-c852-434e-9f88-1d62a62d5fef/v16 |
| ef:activity/change/20261019T0712047113160000/339085 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/6f56b895-c852-434e-9f88-1d62a62d5fef/v16 | ef:flow/6f56b895-c852-434e-9f88-1d62a62d5fef/v17 |
| ef:activity/change/20261019T0712047113160000/398766 | types | ef:agent/link_flows_to_their_substance | ef:flow/6f56b895-c852-434e-9f88-1d62a62d5fef/v17 | ef:flow/6f56b895-c852-434e-9f88-1d62a62d5fef/v18 |