1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl )-3-pentanone
Everything that changed this flow. Back to the flow
a19b9ce6-e251-11e6-bf01-fe55135034f3
By field
12 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 6 | enrich_references, link_flows_to_their_substance, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | the substance's answer, copied onto its flow |
| altLabel | 3 | consensus_match, strip_catalogue_altlabels, substance_label_v1 | demoted by the substance's name: Perfluoro-2-methyl-3-pentanone |
| prefLabel | 3 | bootstrap_labels, normalize_name_case, substance_label_v1 | the substance's name: 1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl )-3-pentanone |
| cas_match_labels | 1 | consensus_match | group_key=1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)-3-pentanone||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'756-13-8': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-39858dcea8d22fc8: {'756-13-8': '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=['756-13-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[2782408]; selected_pubchem_cids=[2782408]; 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 |
| 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 |
|---|---|---|---|---|---|
| 24,567 | bootstrap_labels | prefLabel | — | [{"@value":"perfluoro-2-methyl-3-pentanone","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:w… | Bootstrapped prefLabel from legacy name field |
| 24,568 | bootstrap_labels | name | perfluoro-2-methyl-3-pentanone | — | Purged legacy name field to enforce prefLabel usage |
| 145,958 | 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 |
| 145,959 | 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 |
| 213,883 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 226,466 | normalize_name_case | prefLabel | [{"@value":"perfluoro-2-methyl-3-pentanone","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:w… | [{"@value":"Perfluoro-2-methyl-3-pentanone","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:w… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 228,745 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6F12O"],"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 228,746 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 228,747 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J953.676K","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['756-13-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[2782408]; selected_pubchem_cids=[2782408]; 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 |
| 248,773 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6F12O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6F12O"],"… | rdkit_pre_consensus from 'C(=O)(C(C(F)(F)F)(C(F)(F)F)F)C(C(F)(F)F)(F)F'; added: molecular_mass, monoisotopic_mass |
| 258,090 | consensus_match | altLabel | [] | [{"@value":"1,1,1,2,2,4,5,5,5-Nonafluoro-4-(trifluoromethyl)-3-pentanone","@language":"en","source":{"prov:wasGenerated… | group_key=1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)-3-pentanone||dimension=Environmental > media=Water > water_body=Ocean; cas=756-13-8; added Common Chemistry CAS names as altLabel: 1,1,1,2,2,4,5,5,5-Nonafluoro-4-(trifluoromethyl)-3-pentanone, 3-Pentanone, 1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)-, Dodecafluoro-2-methylpentan-3-one, FK 5-1-12, HFE 649, Heptafluoroisopropyl pentafluoroethyl ketone, Khaldon PFK 49, L 18543, Naoh 5112, Novec 1230, Novec 649, Perfluoro(ethyl isopropyl ketone), Perfluoro-(4-methylpentan-3-one); object_uuid=fo-39858dcea8d22fc8 |
| 258,091 | consensus_match | cas_match_labels | — | {"756-13-8":"exactMatch"} | group_key=1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)-3-pentanone||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'756-13-8': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-39858dcea8d22fc8: {'756-13-8': 'exactMatch'} |
| 279,673 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6F12O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6F12O"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Perfluoro-2-methyl-3-pentanone' |
| 286,561 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6F12O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6F12O"],"… | rdkit_post_consensus from 'O=C(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,812 | strip_catalogue_altlabels | altLabel | [{"@value":"1,1,1,2,2,4,5,5,5-Nonafluoro-4-(trifluoromethyl)-3-pentanone","@language":"en","source":{"prov:wasGenerated… | [{"@value":"1,1,1,2,2,4,5,5,5-Nonafluoro-4-(trifluoromethyl)-3-pentanone","@language":"en","source":{"prov:wasGenerated… | Removed 5 catalogue altLabel value(s): 'HFE 649' (grade code), 'L 18543' (grade code), 'Naoh 5112' (grade code), 'Novec 1230' (trade name), 'Novec 649' (trade name) |
| 354,004 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/a19b9ce6-e251-… | associations resolved on the elementary layer |
| 394,077 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6F12O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6F12O"],"… | typed the way the ontology types it |
| 394,825 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 403,471 | link_flows_to_their_substance | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6F12O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6F12O"],"… | the substance's answer, copied onto its flow |
| 404,267 | substance_label_v1 | altLabel | [{"@value":"1,1,1,2,2,4,5,5,5-Nonafluoro-4-(trifluoromethyl)-3-pentanone","@language":"en","source":{"prov:wasGenerated… | [{"@value":"1,1,1,2,2,4,5,5,5-Nonafluoro-4-(trifluoromethyl)-3-pentanone","@language":"en","source":{"prov:wasGenerated… | demoted by the substance's name: Perfluoro-2-methyl-3-pentanone |
| 404,268 | substance_label_v1 | prefLabel | [{"@value":"Perfluoro-2-methyl-3-pentanone","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:w… | [{"@value":"1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl )-3-pentanone","@language":"en","@lang":"en","source":{"pro… | the substance's name: 1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl )-3-pentanone |
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/20260820T1555490862250000/24567 | prefLabel | ef:agent/bootstrap_labels | ef:flow/a19b9ce6-e251-11e6-bf01-fe55135034f3/v0 | ef:flow/a19b9ce6-e251-11e6-bf01-fe55135034f3/v1 |
| ef:activity/change/20260820T1555490862250000/24568 | name | ef:agent/bootstrap_labels | ef:flow/a19b9ce6-e251-11e6-bf01-fe55135034f3/v1 | ef:flow/a19b9ce6-e251-11e6-bf01-fe55135034f3/v2 |
| ef:activity/change/20260820T1555490862250000/145958 | context | ef:agent/default_context_mapping | ef:flow/a19b9ce6-e251-11e6-bf01-fe55135034f3/v2 | ef:flow/a19b9ce6-e251-11e6-bf01-fe55135034f3/v3 |
| ef:activity/change/20260820T1555490862250000/145959 | context_iri | ef:agent/default_context_mapping | ef:flow/a19b9ce6-e251-11e6-bf01-fe55135034f3/v3 | ef:flow/a19b9ce6-e251-11e6-bf01-fe55135034f3/v4 |
| ef:activity/change/20260820T1555490862250000/213883 | unit_iri | ef:agent/unit_normalization | ef:flow/a19b9ce6-e251-11e6-bf01-fe55135034f3/v4 | ef:flow/a19b9ce6-e251-11e6-bf01-fe55135034f3/v5 |
| ef:activity/change/20260820T1555490862250000/226466 | prefLabel | ef:agent/normalize_name_case | ef:flow/a19b9ce6-e251-11e6-bf01-fe55135034f3/v5 | ef:flow/a19b9ce6-e251-11e6-bf01-fe55135034f3/v6 |
| ef:activity/change/20260820T1555490862250000/228745 | properties | ef:agent/enrich_references | ef:flow/a19b9ce6-e251-11e6-bf01-fe55135034f3/v6 | ef:flow/a19b9ce6-e251-11e6-bf01-fe55135034f3/v7 |
| ef:activity/change/20260820T1555490862250000/228746 | skos_definition | ef:agent/enrich_references | ef:flow/a19b9ce6-e251-11e6-bf01-fe55135034f3/v7 | ef:flow/a19b9ce6-e251-11e6-bf01-fe55135034f3/v8 |
| ef:activity/change/20260820T1555490862250000/228747 | references | ef:agent/enrich_references | ef:flow/a19b9ce6-e251-11e6-bf01-fe55135034f3/v8 | ef:flow/a19b9ce6-e251-11e6-bf01-fe55135034f3/v9 |
| ef:activity/change/20260820T1555490862250000/248773 | properties | ef:agent/rdkit_pre_consensus | ef:flow/a19b9ce6-e251-11e6-bf01-fe55135034f3/v9 | ef:flow/a19b9ce6-e251-11e6-bf01-fe55135034f3/v10 |
| ef:activity/change/20260820T1555490862250000/258090 | altLabel | ef:agent/consensus_match | ef:flow/a19b9ce6-e251-11e6-bf01-fe55135034f3/v10 | ef:flow/a19b9ce6-e251-11e6-bf01-fe55135034f3/v11 |
| ef:activity/change/20260820T1555490862250000/258091 | cas_match_labels | ef:agent/consensus_match | ef:flow/a19b9ce6-e251-11e6-bf01-fe55135034f3/v11 | ef:flow/a19b9ce6-e251-11e6-bf01-fe55135034f3/v12 |
| ef:activity/change/20260820T1555490862250000/279673 | properties | ef:agent/opsin_iupac | ef:flow/a19b9ce6-e251-11e6-bf01-fe55135034f3/v12 | ef:flow/a19b9ce6-e251-11e6-bf01-fe55135034f3/v13 |
| ef:activity/change/20260820T1555490862250000/286561 | properties | ef:agent/rdkit_post_consensus | ef:flow/a19b9ce6-e251-11e6-bf01-fe55135034f3/v13 | ef:flow/a19b9ce6-e251-11e6-bf01-fe55135034f3/v14 |
| ef:activity/change/20260820T1555490862250000/291812 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/a19b9ce6-e251-11e6-bf01-fe55135034f3/v14 | ef:flow/a19b9ce6-e251-11e6-bf01-fe55135034f3/v15 |
| ef:activity/change/20260820T1555490862250000/354004 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/a19b9ce6-e251-11e6-bf01-fe55135034f3/v15 | ef:flow/a19b9ce6-e251-11e6-bf01-fe55135034f3/v16 |
| ef:activity/change/20260820T1555490862250000/394077 | properties | ef:agent/normalise_property_values | ef:flow/a19b9ce6-e251-11e6-bf01-fe55135034f3/v16 | ef:flow/a19b9ce6-e251-11e6-bf01-fe55135034f3/v17 |
| ef:activity/change/20260820T1555490862250000/394825 | types | ef:agent/link_flows_to_their_substance | ef:flow/a19b9ce6-e251-11e6-bf01-fe55135034f3/v17 | ef:flow/a19b9ce6-e251-11e6-bf01-fe55135034f3/v18 |
| ef:activity/change/20260820T1555490862250000/403471 | properties | ef:agent/link_flows_to_their_substance | ef:flow/a19b9ce6-e251-11e6-bf01-fe55135034f3/v18 | ef:flow/a19b9ce6-e251-11e6-bf01-fe55135034f3/v19 |
| ef:activity/change/20260820T1555490862250000/404267 | altLabel | ef:agent/substance_label_v1 | ef:flow/a19b9ce6-e251-11e6-bf01-fe55135034f3/v19 | ef:flow/a19b9ce6-e251-11e6-bf01-fe55135034f3/v20 |
| ef:activity/change/20260820T1555490862250000/404268 | prefLabel | ef:agent/substance_label_v1 | ef:flow/a19b9ce6-e251-11e6-bf01-fe55135034f3/v20 | ef:flow/a19b9ce6-e251-11e6-bf01-fe55135034f3/v21 |