Perfluorohexane
Everything that changed this flow. Back to the flow
04204764-6556-11dd-ad8b-0800200c9a66
By field
14 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, strip_catalogue_altlabels | Removed 4 catalogue altLabel value(s): 'AF 0150' (grade code), 'FC 72' (grade code), 'PF 5060' (grade code), 'PP 1' (grade 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=perfluorohexane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'355-42-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4cfe21f6f1b5e527: {'355-42-0': '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 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) |
| ec_numbers | 1 | ec_cross_check | Resolved from EC-inventory: 206-585-0 from CAS 355-42-0 |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['355-42-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_39427']; candidate_pubchem_cids=[9639]; selected_pubchem_cids=[9639]; 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 |
|---|---|---|---|---|---|
| 3,670 | bootstrap_labels | prefLabel | — | [{"@value":"perfluorohexane","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | Bootstrapped prefLabel from legacy name field |
| 3,671 | bootstrap_labels | name | perfluorohexane | — | Purged legacy name field to enforce prefLabel usage |
| 3,672 | bootstrap_labels | synonyms | ["1,1,1,2,2,3,3,4,4,5,5,6,6,6-Tetradecafluorohexane","AC1L1THS","AF-0150","AF0150","AFO145","AFO150","Fluorinert FC72",… | [] | Removed legacy synonyms field in favor of structured labels |
| 29,000 | 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) |
| 29,001 | 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) |
| 214,566 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,946 | normalize_name_case | prefLabel | [{"@value":"perfluorohexane","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | [{"@value":"Perfluorohexane","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 226,757 | ec_cross_check | ec_numbers | [] | ["206-585-0"] | Resolved from EC-inventory: 206-585-0 from CAS 355-42-0 |
| 230,716 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6F14"],"a… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 230,717 | enrich_references | skos_definition | — | [{"@value":"A fluoroalkane that is hexane in which all of the hydrogens have been replaced by fluorines.","@language":"… | Merged ChEBI/PubChem definitions into skos:definition |
| 230,718 | enrich_references | references | [] | [{"@id":"beilstein:1802113","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":… | Added references with provenance; cas_numbers=['355-42-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_39427']; candidate_pubchem_cids=[9639]; selected_pubchem_cids=[9639]; 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 |
| 249,338 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6F14"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6F14"],"a… | rdkit_pre_consensus from 'C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F'; added: monoisotopic_mass |
| 254,850 | chebi_altlabels | altLabel | [] | [{"@value":"1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_… | Added 5 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 270,518 | consensus_match | altLabel | [{"@value":"1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_… | [{"@value":"1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_… | group_key=perfluorohexane||dimension=Environmental > media=Ground > geography=Agricultural; cas=355-42-0; added Common Chemistry CAS names as altLabel: AF 0150, FC 72, Fluorinert FC 72, Fluorinert FX 3250D, Fluorinert PF 5060, Flutec PP 1, Hexane, 1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluoro-, Hexane, tetradecafluoro-, PF 5060, PFC 51-14, PP 1, Perfluoro-<em>n</em>-hexane; object_uuid=fo-4cfe21f6f1b5e527 |
| 270,520 | consensus_match | cas_match_labels | — | {"355-42-0":"exactMatch"} | group_key=perfluorohexane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'355-42-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4cfe21f6f1b5e527: {'355-42-0': 'exactMatch'} |
| 274,468 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6F14"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6F14"],"a… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Perfluorohexane' |
| 280,908 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6F14"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6F14"],"a… | rdkit_post_consensus from 'FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,012 | strip_catalogue_altlabels | altLabel | [{"@value":"1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_… | [{"@value":"1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_… | Removed 4 catalogue altLabel value(s): 'AF 0150' (grade code), 'FC 72' (grade code), 'PF 5060' (grade code), 'PP 1' (grade code) |
| 295,540 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/04204764-6556-… | associations resolved on the elementary layer |
| 388,765 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6F14"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6F14"],"a… | typed the way the ontology types it |
| 395,640 | 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/20260822T0600486828500000/3670 | prefLabel | ef:agent/bootstrap_labels | ef:flow/04204764-6556-11dd-ad8b-0800200c9a66/v0 | ef:flow/04204764-6556-11dd-ad8b-0800200c9a66/v1 |
| ef:activity/change/20260822T0600486828500000/3671 | name | ef:agent/bootstrap_labels | ef:flow/04204764-6556-11dd-ad8b-0800200c9a66/v1 | ef:flow/04204764-6556-11dd-ad8b-0800200c9a66/v2 |
| ef:activity/change/20260822T0600486828500000/3672 | synonyms | ef:agent/bootstrap_labels | ef:flow/04204764-6556-11dd-ad8b-0800200c9a66/v2 | ef:flow/04204764-6556-11dd-ad8b-0800200c9a66/v3 |
| ef:activity/change/20260822T0600486828500000/29000 | context | ef:agent/default_context_mapping | ef:flow/04204764-6556-11dd-ad8b-0800200c9a66/v3 | ef:flow/04204764-6556-11dd-ad8b-0800200c9a66/v4 |
| ef:activity/change/20260822T0600486828500000/29001 | context_iri | ef:agent/default_context_mapping | ef:flow/04204764-6556-11dd-ad8b-0800200c9a66/v4 | ef:flow/04204764-6556-11dd-ad8b-0800200c9a66/v5 |
| ef:activity/change/20260822T0600486828500000/214566 | unit_iri | ef:agent/unit_normalization | ef:flow/04204764-6556-11dd-ad8b-0800200c9a66/v5 | ef:flow/04204764-6556-11dd-ad8b-0800200c9a66/v6 |
| ef:activity/change/20260822T0600486828500000/221946 | prefLabel | ef:agent/normalize_name_case | ef:flow/04204764-6556-11dd-ad8b-0800200c9a66/v6 | ef:flow/04204764-6556-11dd-ad8b-0800200c9a66/v7 |
| ef:activity/change/20260822T0600486828500000/226757 | ec_numbers | ef:agent/ec_cross_check | ef:flow/04204764-6556-11dd-ad8b-0800200c9a66/v7 | ef:flow/04204764-6556-11dd-ad8b-0800200c9a66/v8 |
| ef:activity/change/20260822T0600486828500000/230716 | properties | ef:agent/enrich_references | ef:flow/04204764-6556-11dd-ad8b-0800200c9a66/v8 | ef:flow/04204764-6556-11dd-ad8b-0800200c9a66/v9 |
| ef:activity/change/20260822T0600486828500000/230717 | skos_definition | ef:agent/enrich_references | ef:flow/04204764-6556-11dd-ad8b-0800200c9a66/v9 | ef:flow/04204764-6556-11dd-ad8b-0800200c9a66/v10 |
| ef:activity/change/20260822T0600486828500000/230718 | references | ef:agent/enrich_references | ef:flow/04204764-6556-11dd-ad8b-0800200c9a66/v10 | ef:flow/04204764-6556-11dd-ad8b-0800200c9a66/v11 |
| ef:activity/change/20260822T0600486828500000/249338 | properties | ef:agent/rdkit_pre_consensus | ef:flow/04204764-6556-11dd-ad8b-0800200c9a66/v11 | ef:flow/04204764-6556-11dd-ad8b-0800200c9a66/v12 |
| ef:activity/change/20260822T0600486828500000/254850 | altLabel | ef:agent/chebi_altlabels | ef:flow/04204764-6556-11dd-ad8b-0800200c9a66/v12 | ef:flow/04204764-6556-11dd-ad8b-0800200c9a66/v13 |
| ef:activity/change/20260822T0600486828500000/270518 | altLabel | ef:agent/consensus_match | ef:flow/04204764-6556-11dd-ad8b-0800200c9a66/v13 | ef:flow/04204764-6556-11dd-ad8b-0800200c9a66/v14 |
| ef:activity/change/20260822T0600486828500000/270520 | cas_match_labels | ef:agent/consensus_match | ef:flow/04204764-6556-11dd-ad8b-0800200c9a66/v14 | ef:flow/04204764-6556-11dd-ad8b-0800200c9a66/v15 |
| ef:activity/change/20260822T0600486828500000/274468 | properties | ef:agent/opsin_iupac | ef:flow/04204764-6556-11dd-ad8b-0800200c9a66/v15 | ef:flow/04204764-6556-11dd-ad8b-0800200c9a66/v16 |
| ef:activity/change/20260822T0600486828500000/280908 | properties | ef:agent/rdkit_post_consensus | ef:flow/04204764-6556-11dd-ad8b-0800200c9a66/v16 | ef:flow/04204764-6556-11dd-ad8b-0800200c9a66/v17 |
| ef:activity/change/20260822T0600486828500000/288012 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/04204764-6556-11dd-ad8b-0800200c9a66/v17 | ef:flow/04204764-6556-11dd-ad8b-0800200c9a66/v18 |
| ef:activity/change/20260822T0600486828500000/295540 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/04204764-6556-11dd-ad8b-0800200c9a66/v18 | ef:flow/04204764-6556-11dd-ad8b-0800200c9a66/v19 |
| ef:activity/change/20260822T0600486828500000/388765 | properties | ef:agent/normalise_property_values | ef:flow/04204764-6556-11dd-ad8b-0800200c9a66/v19 | ef:flow/04204764-6556-11dd-ad8b-0800200c9a66/v20 |
| ef:activity/change/20260822T0600486828500000/395640 | types | ef:agent/link_flows_to_their_substance | ef:flow/04204764-6556-11dd-ad8b-0800200c9a66/v20 | ef:flow/04204764-6556-11dd-ad8b-0800200c9a66/v21 |