Ferrocene
Everything that changed this flow. Back to the flow
3691d0a2-7766-4578-9bbd-5a1e5c8b0a58
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| altLabel | 4 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 3 catalogue altLabel value(s): 'NSC 2033' (registry code), 'NSC 209798' (registry code), 'NSC 44012' (registry code) |
| properties | 4 | enrich_references, normalise_property_values, rdkit_post_consensus, rdkit_pre_consensus | typed the way the ontology types it |
| prefLabel | 3 | bootstrap_labels, consensus_match, normalize_name_case | cas=102-54-5; cc_chebi_agreed_name='Ferrocene'; object_uuid=fo-a8e2f3fdaf6b136b |
| cas_match_labels | 1 | consensus_match | group_key=iron(2+)dicyclopenta-2,4-dienide||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'ec_inventory']; cas_sources={'102-54-5': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a8e2f3fdaf6b136b: {'102-54-5': '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=['102-54-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_30672']; candidate_pubchem_cids=[7611, 407133, 504306, 5150118, 10219726, 11985121, 14573963, 21938862, 21944454, 23616435, 24729611, 25199998, 163199267, 176447988]; selected_pubchem_cids=[]; 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
21| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 6,413 | bootstrap_labels | prefLabel | — | [{"@value":"iron(2+) dicyclopenta-2,4-dienide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","pro… | Bootstrapped prefLabel from legacy name field |
| 6,414 | bootstrap_labels | name | iron(2+) dicyclopenta-2,4-dienide | — | Purged legacy name field to enforce prefLabel usage |
| 6,415 | bootstrap_labels | synonyms | ["organometallic","ferrocene"] | [] | Removed legacy synonyms field in favor of structured labels |
| 73,058 | 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 |
| 73,059 | 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 |
| 215,481 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,568 | normalize_name_case | prefLabel | [{"@value":"iron(2+) dicyclopenta-2,4-dienide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","pro… | [{"@value":"Iron(2+) Dicyclopenta-2,4-dienide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","pro… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 233,341 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H10Fe"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=0) |
| 233,342 | enrich_references | skos_definition | — | [{"@value":"A bis(η5-cyclopentadienyl)metal(II) having Fe(II) as the metal(II) species. The parent of the class of ferr… | Merged ChEBI/PubChem definitions into skos:definition |
| 233,343 | enrich_references | references | [] | [{"@id":"gmelin:3385","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"conse… | Added references with provenance; cas_numbers=['102-54-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_30672']; candidate_pubchem_cids=[7611, 407133, 504306, 5150118, 10219726, 11985121, 14573963, 21938862, 21944454, 23616435, 24729611, 25199998, 163199267, 176447988]; selected_pubchem_cids=[]; 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 |
| 250,091 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H10Fe"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H10Fe"]… | rdkit_pre_consensus from '[CH]12[CH]3[CH]4[CH]5[CH]1[Fe]23451678[CH]2[CH]1[CH]6[CH]7[CH]28'; added: monoisotopic_mass |
| 255,172 | chebi_altlabels | altLabel | [] | [{"@value":"Dicyclopentadienyleisen","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | Added 16 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 268,042 | consensus_match | prefLabel | [{"@value":"Iron(2+) Dicyclopenta-2,4-dienide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","pro… | [{"@value":"Ferrocene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"conse… | cas=102-54-5; cc_chebi_agreed_name='Ferrocene'; object_uuid=fo-a8e2f3fdaf6b136b |
| 268,043 | consensus_match | altLabel | [{"@value":"Dicyclopentadienyleisen","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | [{"@value":"Dicyclopentadienyleisen","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | cas=102-54-5; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-a8e2f3fdaf6b136b |
| 268,044 | consensus_match | altLabel | [{"@value":"Dicyclopentadienyleisen","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | [{"@value":"Dicyclopentadienyleisen","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | group_key=iron(2+)dicyclopenta-2,4-dienide||dimension=Environmental > media=Water > water_body=Surface water; cas=102-54-5; added Common Chemistry CAS names as altLabel: Bis(η-cyclopentadienyl)iron, Bis(η<sup>5</sup>-cyclopentadienyl)iron, Catane TM, Di-π-cyclopentadienyl iron, Dicyclopentadienyliron, Ferrotsen, Iron, bis(η<sup>5</sup>-2,4-cyclopentadien-1-yl)-, NSC 2033, NSC 209798, NSC 44012, PLUTOcen F-C, PLUTOcen G; object_uuid=fo-a8e2f3fdaf6b136b |
| 268,045 | consensus_match | cas_match_labels | — | {"102-54-5":"exactMatch"} | group_key=iron(2+)dicyclopenta-2,4-dienide||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'ec_inventory']; cas_sources={'102-54-5': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a8e2f3fdaf6b136b: {'102-54-5': 'exactMatch'} |
| 281,731 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H10Fe"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H10Fe"]… | rdkit_post_consensus from '[CH]12[CH]3[CH]4[CH]5[CH]1[Fe]23451678[CH]2[CH]1[CH]6[CH]7[CH]28'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,562 | strip_catalogue_altlabels | altLabel | [{"@value":"Dicyclopentadienyleisen","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | [{"@value":"Dicyclopentadienyleisen","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | Removed 3 catalogue altLabel value(s): 'NSC 2033' (registry code), 'NSC 209798' (registry code), 'NSC 44012' (registry code) |
| 317,546 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/3691d0a2-7766-… | associations resolved on the elementary layer |
| 389,532 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H10Fe"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H10Fe"]… | typed the way the ontology types it |
| 396,726 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
21 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/20260822T0600486828500000/6413 | prefLabel | ef:agent/bootstrap_labels | ef:flow/3691d0a2-7766-4578-9bbd-5a1e5c8b0a58/v0 | ef:flow/3691d0a2-7766-4578-9bbd-5a1e5c8b0a58/v1 |
| ef:activity/change/20260822T0600486828500000/6414 | name | ef:agent/bootstrap_labels | ef:flow/3691d0a2-7766-4578-9bbd-5a1e5c8b0a58/v1 | ef:flow/3691d0a2-7766-4578-9bbd-5a1e5c8b0a58/v2 |
| ef:activity/change/20260822T0600486828500000/6415 | synonyms | ef:agent/bootstrap_labels | ef:flow/3691d0a2-7766-4578-9bbd-5a1e5c8b0a58/v2 | ef:flow/3691d0a2-7766-4578-9bbd-5a1e5c8b0a58/v3 |
| ef:activity/change/20260822T0600486828500000/73058 | context | ef:agent/default_context_mapping | ef:flow/3691d0a2-7766-4578-9bbd-5a1e5c8b0a58/v3 | ef:flow/3691d0a2-7766-4578-9bbd-5a1e5c8b0a58/v4 |
| ef:activity/change/20260822T0600486828500000/73059 | context_iri | ef:agent/default_context_mapping | ef:flow/3691d0a2-7766-4578-9bbd-5a1e5c8b0a58/v4 | ef:flow/3691d0a2-7766-4578-9bbd-5a1e5c8b0a58/v5 |
| ef:activity/change/20260822T0600486828500000/215481 | unit_iri | ef:agent/unit_normalization | ef:flow/3691d0a2-7766-4578-9bbd-5a1e5c8b0a58/v5 | ef:flow/3691d0a2-7766-4578-9bbd-5a1e5c8b0a58/v6 |
| ef:activity/change/20260822T0600486828500000/222568 | prefLabel | ef:agent/normalize_name_case | ef:flow/3691d0a2-7766-4578-9bbd-5a1e5c8b0a58/v6 | ef:flow/3691d0a2-7766-4578-9bbd-5a1e5c8b0a58/v7 |
| ef:activity/change/20260822T0600486828500000/233341 | properties | ef:agent/enrich_references | ef:flow/3691d0a2-7766-4578-9bbd-5a1e5c8b0a58/v7 | ef:flow/3691d0a2-7766-4578-9bbd-5a1e5c8b0a58/v8 |
| ef:activity/change/20260822T0600486828500000/233342 | skos_definition | ef:agent/enrich_references | ef:flow/3691d0a2-7766-4578-9bbd-5a1e5c8b0a58/v8 | ef:flow/3691d0a2-7766-4578-9bbd-5a1e5c8b0a58/v9 |
| ef:activity/change/20260822T0600486828500000/233343 | references | ef:agent/enrich_references | ef:flow/3691d0a2-7766-4578-9bbd-5a1e5c8b0a58/v9 | ef:flow/3691d0a2-7766-4578-9bbd-5a1e5c8b0a58/v10 |
| ef:activity/change/20260822T0600486828500000/250091 | properties | ef:agent/rdkit_pre_consensus | ef:flow/3691d0a2-7766-4578-9bbd-5a1e5c8b0a58/v10 | ef:flow/3691d0a2-7766-4578-9bbd-5a1e5c8b0a58/v11 |
| ef:activity/change/20260822T0600486828500000/255172 | altLabel | ef:agent/chebi_altlabels | ef:flow/3691d0a2-7766-4578-9bbd-5a1e5c8b0a58/v11 | ef:flow/3691d0a2-7766-4578-9bbd-5a1e5c8b0a58/v12 |
| ef:activity/change/20260822T0600486828500000/268042 | prefLabel | ef:agent/consensus_match | ef:flow/3691d0a2-7766-4578-9bbd-5a1e5c8b0a58/v12 | ef:flow/3691d0a2-7766-4578-9bbd-5a1e5c8b0a58/v13 |
| ef:activity/change/20260822T0600486828500000/268043 | altLabel | ef:agent/consensus_match | ef:flow/3691d0a2-7766-4578-9bbd-5a1e5c8b0a58/v13 | ef:flow/3691d0a2-7766-4578-9bbd-5a1e5c8b0a58/v14 |
| ef:activity/change/20260822T0600486828500000/268044 | altLabel | ef:agent/consensus_match | ef:flow/3691d0a2-7766-4578-9bbd-5a1e5c8b0a58/v14 | ef:flow/3691d0a2-7766-4578-9bbd-5a1e5c8b0a58/v15 |
| ef:activity/change/20260822T0600486828500000/268045 | cas_match_labels | ef:agent/consensus_match | ef:flow/3691d0a2-7766-4578-9bbd-5a1e5c8b0a58/v15 | ef:flow/3691d0a2-7766-4578-9bbd-5a1e5c8b0a58/v16 |
| ef:activity/change/20260822T0600486828500000/281731 | properties | ef:agent/rdkit_post_consensus | ef:flow/3691d0a2-7766-4578-9bbd-5a1e5c8b0a58/v16 | ef:flow/3691d0a2-7766-4578-9bbd-5a1e5c8b0a58/v17 |
| ef:activity/change/20260822T0600486828500000/288562 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/3691d0a2-7766-4578-9bbd-5a1e5c8b0a58/v17 | ef:flow/3691d0a2-7766-4578-9bbd-5a1e5c8b0a58/v18 |
| ef:activity/change/20260822T0600486828500000/317546 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/3691d0a2-7766-4578-9bbd-5a1e5c8b0a58/v18 | ef:flow/3691d0a2-7766-4578-9bbd-5a1e5c8b0a58/v19 |
| ef:activity/change/20260822T0600486828500000/389532 | properties | ef:agent/normalise_property_values | ef:flow/3691d0a2-7766-4578-9bbd-5a1e5c8b0a58/v19 | ef:flow/3691d0a2-7766-4578-9bbd-5a1e5c8b0a58/v20 |
| ef:activity/change/20260822T0600486828500000/396726 | types | ef:agent/link_flows_to_their_substance | ef:flow/3691d0a2-7766-4578-9bbd-5a1e5c8b0a58/v20 | ef:flow/3691d0a2-7766-4578-9bbd-5a1e5c8b0a58/v21 |