Pentacarbonyliron
Everything that changed this flow. Back to the flow
cec34195-728a-4f87-8ace-8096a7c343f2
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 | 3 | chebi_altlabels, 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=pentacarbonyliron||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'13463-40-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-92ef897dc674a2ba: {'13463-40-6': '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 soil > Emissions to agricultural soil |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['13463-40-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_30251']; candidate_pubchem_cids=[26040, 518773, 15184394]; selected_pubchem_cids=[518773]; 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
20| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 11,161 | bootstrap_labels | prefLabel | — | [{"@value":"pentacarbonyliron","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedT… | Bootstrapped prefLabel from legacy name field |
| 11,162 | bootstrap_labels | name | pentacarbonyliron | — | Purged legacy name field to enforce prefLabel usage |
| 11,163 | bootstrap_labels | synonyms | ["inorganic","pentacarbonyliron","eisenpentacarbonyl","ironcarbonyl","ironcarbonyl(fe(co)5)(8ci)","ironcarbonyl(fe(co)5… | [] | Removed legacy synonyms field in favor of structured labels |
| 172,146 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 172,147 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-agri | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 217,039 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,698 | normalize_name_case | prefLabel | [{"@value":"pentacarbonyliron","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedT… | [{"@value":"Pentacarbonyliron","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedT… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 237,799 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5FeO5"],"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 237,800 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 237,801 | enrich_references | references | [] | [{"@id":"gmelin:3567","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"conse… | Added references with provenance; cas_numbers=['13463-40-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_30251']; candidate_pubchem_cids=[26040, 518773, 15184394]; selected_pubchem_cids=[518773]; 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 |
| 251,367 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5FeO5"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5FeO5"],"… | rdkit_pre_consensus from '[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]'; added: monoisotopic_mass |
| 255,943 | chebi_altlabels | altLabel | [] | [{"@value":"[Fe(CO)5]","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"conse… | Added 3 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 270,409 | consensus_match | altLabel | [{"@value":"[Fe(CO)5]","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"conse… | [{"@value":"[Fe(CO)5]","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"conse… | group_key=pentacarbonyliron||dimension=Environmental > media=Water > water_body=Ocean; cas=13463-40-6; added Common Chemistry CAS names as altLabel: Iron carbonyl (Fe(CO)<sub>5</sub>), Iron carbonyl (Fe(CO)<sub>5</sub>), (<em>TB</em>-5-11)-, Iron pentacarbonyl (Fe(CO)<sub>5</sub>), Pentacarbonyl iron; object_uuid=fo-92ef897dc674a2ba |
| 270,410 | consensus_match | cas_match_labels | — | {"13463-40-6":"exactMatch"} | group_key=pentacarbonyliron||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'13463-40-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-92ef897dc674a2ba: {'13463-40-6': 'exactMatch'} |
| 276,548 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5FeO5"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5FeO5"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Pentacarbonyliron' |
| 283,163 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5FeO5"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5FeO5"],"… | rdkit_post_consensus from 'O=[C]=[Fe](=[C]=O)(=[C]=O)(=[C]=O)=[C]=O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,555 | dedupe_altlabels | altLabel | [{"@value":"[Fe(CO)5]","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"conse… | [{"@value":"[Fe(CO)5]","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"conse… | Deduplicated altLabel values and removed entries matching prefLabel |
| 367,097 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/cec34195-728a-… | associations resolved on the elementary layer |
| 390,904 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5FeO5"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5FeO5"],"… | typed the way the ontology types it |
| 398,714 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
20 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/20260822T0600486828500000/11161 | prefLabel | ef:agent/bootstrap_labels | ef:flow/cec34195-728a-4f87-8ace-8096a7c343f2/v0 | ef:flow/cec34195-728a-4f87-8ace-8096a7c343f2/v1 |
| ef:activity/change/20260822T0600486828500000/11162 | name | ef:agent/bootstrap_labels | ef:flow/cec34195-728a-4f87-8ace-8096a7c343f2/v1 | ef:flow/cec34195-728a-4f87-8ace-8096a7c343f2/v2 |
| ef:activity/change/20260822T0600486828500000/11163 | synonyms | ef:agent/bootstrap_labels | ef:flow/cec34195-728a-4f87-8ace-8096a7c343f2/v2 | ef:flow/cec34195-728a-4f87-8ace-8096a7c343f2/v3 |
| ef:activity/change/20260822T0600486828500000/172146 | context | ef:agent/default_context_mapping | ef:flow/cec34195-728a-4f87-8ace-8096a7c343f2/v3 | ef:flow/cec34195-728a-4f87-8ace-8096a7c343f2/v4 |
| ef:activity/change/20260822T0600486828500000/172147 | context_iri | ef:agent/default_context_mapping | ef:flow/cec34195-728a-4f87-8ace-8096a7c343f2/v4 | ef:flow/cec34195-728a-4f87-8ace-8096a7c343f2/v5 |
| ef:activity/change/20260822T0600486828500000/217039 | unit_iri | ef:agent/unit_normalization | ef:flow/cec34195-728a-4f87-8ace-8096a7c343f2/v5 | ef:flow/cec34195-728a-4f87-8ace-8096a7c343f2/v6 |
| ef:activity/change/20260822T0600486828500000/223698 | prefLabel | ef:agent/normalize_name_case | ef:flow/cec34195-728a-4f87-8ace-8096a7c343f2/v6 | ef:flow/cec34195-728a-4f87-8ace-8096a7c343f2/v7 |
| ef:activity/change/20260822T0600486828500000/237799 | properties | ef:agent/enrich_references | ef:flow/cec34195-728a-4f87-8ace-8096a7c343f2/v7 | ef:flow/cec34195-728a-4f87-8ace-8096a7c343f2/v8 |
| ef:activity/change/20260822T0600486828500000/237800 | skos_definition | ef:agent/enrich_references | ef:flow/cec34195-728a-4f87-8ace-8096a7c343f2/v8 | ef:flow/cec34195-728a-4f87-8ace-8096a7c343f2/v9 |
| ef:activity/change/20260822T0600486828500000/237801 | references | ef:agent/enrich_references | ef:flow/cec34195-728a-4f87-8ace-8096a7c343f2/v9 | ef:flow/cec34195-728a-4f87-8ace-8096a7c343f2/v10 |
| ef:activity/change/20260822T0600486828500000/251367 | properties | ef:agent/rdkit_pre_consensus | ef:flow/cec34195-728a-4f87-8ace-8096a7c343f2/v10 | ef:flow/cec34195-728a-4f87-8ace-8096a7c343f2/v11 |
| ef:activity/change/20260822T0600486828500000/255943 | altLabel | ef:agent/chebi_altlabels | ef:flow/cec34195-728a-4f87-8ace-8096a7c343f2/v11 | ef:flow/cec34195-728a-4f87-8ace-8096a7c343f2/v12 |
| ef:activity/change/20260822T0600486828500000/270409 | altLabel | ef:agent/consensus_match | ef:flow/cec34195-728a-4f87-8ace-8096a7c343f2/v12 | ef:flow/cec34195-728a-4f87-8ace-8096a7c343f2/v13 |
| ef:activity/change/20260822T0600486828500000/270410 | cas_match_labels | ef:agent/consensus_match | ef:flow/cec34195-728a-4f87-8ace-8096a7c343f2/v13 | ef:flow/cec34195-728a-4f87-8ace-8096a7c343f2/v14 |
| ef:activity/change/20260822T0600486828500000/276548 | properties | ef:agent/opsin_iupac | ef:flow/cec34195-728a-4f87-8ace-8096a7c343f2/v14 | ef:flow/cec34195-728a-4f87-8ace-8096a7c343f2/v15 |
| ef:activity/change/20260822T0600486828500000/283163 | properties | ef:agent/rdkit_post_consensus | ef:flow/cec34195-728a-4f87-8ace-8096a7c343f2/v15 | ef:flow/cec34195-728a-4f87-8ace-8096a7c343f2/v16 |
| ef:activity/change/20260822T0600486828500000/292555 | altLabel | ef:agent/dedupe_altlabels | ef:flow/cec34195-728a-4f87-8ace-8096a7c343f2/v16 | ef:flow/cec34195-728a-4f87-8ace-8096a7c343f2/v17 |
| ef:activity/change/20260822T0600486828500000/367097 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/cec34195-728a-4f87-8ace-8096a7c343f2/v17 | ef:flow/cec34195-728a-4f87-8ace-8096a7c343f2/v18 |
| ef:activity/change/20260822T0600486828500000/390904 | properties | ef:agent/normalise_property_values | ef:flow/cec34195-728a-4f87-8ace-8096a7c343f2/v18 | ef:flow/cec34195-728a-4f87-8ace-8096a7c343f2/v19 |
| ef:activity/change/20260822T0600486828500000/398714 | types | ef:agent/link_flows_to_their_substance | ef:flow/cec34195-728a-4f87-8ace-8096a7c343f2/v19 | ef:flow/cec34195-728a-4f87-8ace-8096a7c343f2/v20 |