Tricarbonyl(methyl-η5- Cyclopentadienyl)manganese
Everything that changed this flow. Back to the flow
9a97db8b-c2e0-42fd-9e9f-5a2e92206477
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 11 candidate structures, so no one mass describes it |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 3 catalogue altLabel value(s): 'Hitec 3000' (trade name), 'Hitec 3062' (trade name), 'NSC 22316' (registry code) |
| 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=tricarbonyl(methyl-η5-cyclopentadienyl)manganese||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'12108-13-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-d60a65e7ef3de009: {'12108-13-3': '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 water, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['12108-13-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[25511, 5150494, 10921955, 11984645, 19593970, 60196372, 66545312, 92000646, 117060981, 118987178, 131675772, 131676252, 145457023, 162422580, 170920159]; selected_pubchem_cids=[25511, 5150494, 10921955, 19593970, 66545312, 92000646, 117060981, 118987178, 131675772, 131676252, 162422580, 170920159]; 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 |
|---|---|---|---|---|---|
| 6,145 | bootstrap_labels | prefLabel | — | [{"@value":"tricarbonyl(methyl-η5- cyclopentadienyl)manganese","@language":"en","source":{"prov:wasGeneratedBy":"bootst… | Bootstrapped prefLabel from legacy name field |
| 6,146 | bootstrap_labels | name | tricarbonyl(methyl-η5- cyclopentadienyl)manganese | — | Purged legacy name field to enforce prefLabel usage |
| 6,147 | bootstrap_labels | synonyms | ["organometallic","tricarbonyl(methylcyclopentadienyl)manganese"] | [] | Removed legacy synonyms field in favor of structured labels |
| 141,646 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 141,647 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 215,393 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,513 | normalize_name_case | prefLabel | [{"@value":"tricarbonyl(methyl-η5- cyclopentadienyl)manganese","@language":"en","source":{"prov:wasGeneratedBy":"bootst… | [{"@value":"Tricarbonyl(methyl-η5- Cyclopentadienyl)manganese","@language":"en","source":{"prov:wasGeneratedBy":"bootst… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 233,090 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H10MnO3-… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=12) |
| 233,091 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 233,092 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=12108-13-3","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['12108-13-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[25511, 5150494, 10921955, 11984645, 19593970, 60196372, 66545312, 92000646, 117060981, 118987178, 131675772, 131676252, 145457023, 162422580, 170920159]; selected_pubchem_cids=[25511, 5150494, 10921955, 19593970, 66545312, 92000646, 117060981, 118987178, 131675772, 131676252, 162422580, 170920159]; 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 |
| 250,021 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H10MnO3-… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H10MnO3-… | rdkit_pre_consensus from 'CC1=C=C=C=[C-]1.C=O.C=O.C=O.[Mn]'; added: molecular_mass, monoisotopic_mass |
| 272,809 | consensus_match | altLabel | [] | [{"@value":"(Methylcyclopentadienyl)tricarbonylmanganese","@language":"en","source":{"prov:wasGeneratedBy":"consensus_m… | group_key=tricarbonyl(methyl-η5-cyclopentadienyl)manganese||dimension=Environmental > media=Ground > geography=Unknown; cas=12108-13-3; added Common Chemistry CAS names as altLabel: (Methylcyclopentadienyl)tricarbonylmanganese, 2-Methylcyclopentadienylmanganese tricarbonyl, Ethyl MMT, Hitec 3000, Hitec 3062, MMT, Manganese, tricarbonyl(methyl-π-cyclopentadienyl)-, Manganese, tricarbonyl(methylcyclopentadienyl)-, Manganese, tricarbonyl[(1,2,3,4,5-η)-1-methyl-2,4-cyclopentadien-1-yl]-, Methylcyclopentadienylmanganese tricarbonyl, Methylcymantrene, NSC 22316, Tricarbonyl(2-methylcyclopentadienyl)manganese, Tricarbonyl(methyl-π-cyclopentadienyl)manganese, Tricarbonyl(methylcyclopentadienyl)manganese, Tricarbonyl(η<sup>5</sup>-methylcyclopentadienyl)manganese, Tricarbonyl(η<sup>5</sup>-methylcyclopentadienyl)manganese(I), Tricarbonyl[(1,2,3,4,5-η)-1-methyl-2,4-cyclopentadien-1-yl]manganese, π-Methylcyclopentadienylmanganese tricarbonyl; object_uuid=fo-d60a65e7ef3de009 |
| 272,810 | consensus_match | cas_match_labels | — | {"12108-13-3":"exactMatch"} | group_key=tricarbonyl(methyl-η5-cyclopentadienyl)manganese||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'12108-13-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-d60a65e7ef3de009: {'12108-13-3': 'exactMatch'} |
| 275,157 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H10MnO3-… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H10MnO3-… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '(Methylcyclopentadienyl)tricarbonylmanganese' |
| 281,654 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H10MnO3-… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H10MnO3-… | rdkit_post_consensus from 'C[C]1([Mn](=[C]=O)(=[C]=O)=[C]=O)C=CC=C1'; added: molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula |
| 286,853 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H10MnO3-… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H10MnO3-… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 11 candidate structures, so no one mass describes it |
| 288,503 | strip_catalogue_altlabels | altLabel | [{"@value":"(Methylcyclopentadienyl)tricarbonylmanganese","@language":"en","source":{"prov:wasGeneratedBy":"consensus_m… | [{"@value":"(Methylcyclopentadienyl)tricarbonylmanganese","@language":"en","source":{"prov:wasGeneratedBy":"consensus_m… | Removed 3 catalogue altLabel value(s): 'Hitec 3000' (trade name), 'Hitec 3062' (trade name), 'NSC 22316' (registry code) |
| 351,824 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/9a97db8b-c2e0-… | associations resolved on the elementary layer |
| 396,624 | 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/20260821T1554374006150000/6145 | prefLabel | ef:agent/bootstrap_labels | ef:flow/9a97db8b-c2e0-42fd-9e9f-5a2e92206477/v0 | ef:flow/9a97db8b-c2e0-42fd-9e9f-5a2e92206477/v1 |
| ef:activity/change/20260821T1554374006150000/6146 | name | ef:agent/bootstrap_labels | ef:flow/9a97db8b-c2e0-42fd-9e9f-5a2e92206477/v1 | ef:flow/9a97db8b-c2e0-42fd-9e9f-5a2e92206477/v2 |
| ef:activity/change/20260821T1554374006150000/6147 | synonyms | ef:agent/bootstrap_labels | ef:flow/9a97db8b-c2e0-42fd-9e9f-5a2e92206477/v2 | ef:flow/9a97db8b-c2e0-42fd-9e9f-5a2e92206477/v3 |
| ef:activity/change/20260821T1554374006150000/141646 | context | ef:agent/default_context_mapping | ef:flow/9a97db8b-c2e0-42fd-9e9f-5a2e92206477/v3 | ef:flow/9a97db8b-c2e0-42fd-9e9f-5a2e92206477/v4 |
| ef:activity/change/20260821T1554374006150000/141647 | context_iri | ef:agent/default_context_mapping | ef:flow/9a97db8b-c2e0-42fd-9e9f-5a2e92206477/v4 | ef:flow/9a97db8b-c2e0-42fd-9e9f-5a2e92206477/v5 |
| ef:activity/change/20260821T1554374006150000/215393 | unit_iri | ef:agent/unit_normalization | ef:flow/9a97db8b-c2e0-42fd-9e9f-5a2e92206477/v5 | ef:flow/9a97db8b-c2e0-42fd-9e9f-5a2e92206477/v6 |
| ef:activity/change/20260821T1554374006150000/222513 | prefLabel | ef:agent/normalize_name_case | ef:flow/9a97db8b-c2e0-42fd-9e9f-5a2e92206477/v6 | ef:flow/9a97db8b-c2e0-42fd-9e9f-5a2e92206477/v7 |
| ef:activity/change/20260821T1554374006150000/233090 | properties | ef:agent/enrich_references | ef:flow/9a97db8b-c2e0-42fd-9e9f-5a2e92206477/v7 | ef:flow/9a97db8b-c2e0-42fd-9e9f-5a2e92206477/v8 |
| ef:activity/change/20260821T1554374006150000/233091 | skos_definition | ef:agent/enrich_references | ef:flow/9a97db8b-c2e0-42fd-9e9f-5a2e92206477/v8 | ef:flow/9a97db8b-c2e0-42fd-9e9f-5a2e92206477/v9 |
| ef:activity/change/20260821T1554374006150000/233092 | references | ef:agent/enrich_references | ef:flow/9a97db8b-c2e0-42fd-9e9f-5a2e92206477/v9 | ef:flow/9a97db8b-c2e0-42fd-9e9f-5a2e92206477/v10 |
| ef:activity/change/20260821T1554374006150000/250021 | properties | ef:agent/rdkit_pre_consensus | ef:flow/9a97db8b-c2e0-42fd-9e9f-5a2e92206477/v10 | ef:flow/9a97db8b-c2e0-42fd-9e9f-5a2e92206477/v11 |
| ef:activity/change/20260821T1554374006150000/272809 | altLabel | ef:agent/consensus_match | ef:flow/9a97db8b-c2e0-42fd-9e9f-5a2e92206477/v11 | ef:flow/9a97db8b-c2e0-42fd-9e9f-5a2e92206477/v12 |
| ef:activity/change/20260821T1554374006150000/272810 | cas_match_labels | ef:agent/consensus_match | ef:flow/9a97db8b-c2e0-42fd-9e9f-5a2e92206477/v12 | ef:flow/9a97db8b-c2e0-42fd-9e9f-5a2e92206477/v13 |
| ef:activity/change/20260821T1554374006150000/275157 | properties | ef:agent/opsin_iupac | ef:flow/9a97db8b-c2e0-42fd-9e9f-5a2e92206477/v13 | ef:flow/9a97db8b-c2e0-42fd-9e9f-5a2e92206477/v14 |
| ef:activity/change/20260821T1554374006150000/281654 | properties | ef:agent/rdkit_post_consensus | ef:flow/9a97db8b-c2e0-42fd-9e9f-5a2e92206477/v14 | ef:flow/9a97db8b-c2e0-42fd-9e9f-5a2e92206477/v15 |
| ef:activity/change/20260821T1554374006150000/286853 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/9a97db8b-c2e0-42fd-9e9f-5a2e92206477/v15 | ef:flow/9a97db8b-c2e0-42fd-9e9f-5a2e92206477/v16 |
| ef:activity/change/20260821T1554374006150000/288503 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/9a97db8b-c2e0-42fd-9e9f-5a2e92206477/v16 | ef:flow/9a97db8b-c2e0-42fd-9e9f-5a2e92206477/v17 |
| ef:activity/change/20260821T1554374006150000/351824 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/9a97db8b-c2e0-42fd-9e9f-5a2e92206477/v17 | ef:flow/9a97db8b-c2e0-42fd-9e9f-5a2e92206477/v18 |
| ef:activity/change/20260821T1554374006150000/396624 | types | ef:agent/link_flows_to_their_substance | ef:flow/9a97db8b-c2e0-42fd-9e9f-5a2e92206477/v18 | ef:flow/9a97db8b-c2e0-42fd-9e9f-5a2e92206477/v19 |