Chlorobutanol
Everything that changed this flow. Back to the flow
8c8a7b02-c2b2-4a94-8b5f-e9a54af8494d
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 | 4 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 3 catalogue altLabel value(s): 'NSC 44794' (registry code), 'NSC 4596' (registry code), 'NSC 5208' (registry code) |
| prefLabel | 3 | bootstrap_labels, consensus_match, normalize_name_case | cas=57-15-8; cc_chebi_agreed_name='Chlorobutanol'; object_uuid=fo-8ea40112850fb8dd |
| cas_match_labels | 1 | consensus_match | group_key=chlorbutanol||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'57-15-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8ea40112850fb8dd: {'57-15-8': '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 soil > Emissions to non-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 non-agricultural soil |
| ec_numbers | 1 | ec_cross_check | Resolved from EC-inventory: 200-317-6 from CAS 57-15-8 |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['57-15-8']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_134813']; candidate_pubchem_cids=[5977, 13569, 124294, 5284505, 12219832, 13592249, 15930782, 77520527]; selected_pubchem_cids=[5977]; 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
23| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 9,283 | bootstrap_labels | prefLabel | — | [{"@value":"chlorbutanol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"c… | Bootstrapped prefLabel from legacy name field |
| 9,284 | bootstrap_labels | name | chlorbutanol | — | Purged legacy name field to enforce prefLabel usage |
| 9,285 | bootstrap_labels | synonyms | ["'Acetone chloroform'","'Chlorobutanol'","'Chlorobutanol9",".beta.,.beta.,.beta.-Trichloro-tert-butyl alcohol","1,1,1-… | [] | Removed legacy synonyms field in favor of structured labels |
| 133,458 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Non-agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 133,459 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-noag | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 216,427 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,281 | normalize_name_case | prefLabel | [{"@value":"chlorbutanol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"c… | [{"@value":"Chlorbutanol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"c… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 226,913 | ec_cross_check | ec_numbers | [] | ["200-317-6"] | Resolved from EC-inventory: 200-317-6 from CAS 57-15-8 |
| 236,062 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H7Cl3O"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 236,063 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 236,064 | enrich_references | references | [] | [{"@id":"drugcentral:3092","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['57-15-8']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_134813']; candidate_pubchem_cids=[5977, 13569, 124294, 5284505, 12219832, 13592249, 15930782, 77520527]; selected_pubchem_cids=[5977]; 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 |
| 250,869 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H7Cl3O"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H7Cl3O"]… | rdkit_pre_consensus from 'CC(C)(C(Cl)(Cl)Cl)O'; added: monoisotopic_mass |
| 255,723 | chebi_altlabels | altLabel | [] | [{"@value":"acetochlorone","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"c… | Added 7 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 265,015 | consensus_match | prefLabel | [{"@value":"Chlorbutanol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"c… | [{"@value":"Chlorobutanol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"c… | cas=57-15-8; cc_chebi_agreed_name='Chlorobutanol'; object_uuid=fo-8ea40112850fb8dd |
| 265,016 | consensus_match | altLabel | [{"@value":"acetochlorone","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"c… | [{"@value":"acetochlorone","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"c… | cas=57-15-8; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-8ea40112850fb8dd |
| 265,017 | consensus_match | altLabel | [{"@value":"acetochlorone","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"c… | [{"@value":"acetochlorone","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"c… | group_key=chlorbutanol||dimension=Environmental > media=Ground > geography=Unknown; cas=57-15-8; added Common Chemistry CAS names as altLabel: 1,1,1-Trichloro-2-methyl-2-propanol, 1,1,1-Trichloro-<em>tert</em>-butyl alcohol, 2,2,2-Trichloro-1,1-dimethylethanol, 2-(Trichloromethyl)-2-propanol, 2-Propanol, 1,1,1-trichloro-2-methyl-, Anhydrous chlorobutanol, Chlortran, Clortran, Coliquifilm, Dentalone, Khloreton, MeSH ID: D002724, Methaform, NSC 44794, NSC 4596, NSC 5208, Sedaform, Trichloro-<em>tert</em>-butyl alcohol, β,β,β-Trichloro-<em>tert</em>-butyl alcohol; object_uuid=fo-8ea40112850fb8dd |
| 265,018 | consensus_match | cas_match_labels | — | {"57-15-8":"exactMatch"} | group_key=chlorbutanol||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'57-15-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8ea40112850fb8dd: {'57-15-8': 'exactMatch'} |
| 276,057 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H7Cl3O"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H7Cl3O"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1,1,1-Trichloro-2-methyl-2-propanol' |
| 282,628 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H7Cl3O"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H7Cl3O"]… | rdkit_post_consensus from 'CC(C)(O)C(Cl)(Cl)Cl'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,202 | strip_catalogue_altlabels | altLabel | [{"@value":"acetochlorone","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"c… | [{"@value":"acetochlorone","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"c… | Removed 3 catalogue altLabel value(s): 'NSC 44794' (registry code), 'NSC 4596' (registry code), 'NSC 5208' (registry code) |
| 347,724 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/8c8a7b02-c2b2-… | associations resolved on the elementary layer |
| 390,401 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H7Cl3O"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H7Cl3O"]… | typed the way the ontology types it |
| 397,994 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
23 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/20260821T1554374006150000/9283 | prefLabel | ef:agent/bootstrap_labels | ef:flow/8c8a7b02-c2b2-4a94-8b5f-e9a54af8494d/v0 | ef:flow/8c8a7b02-c2b2-4a94-8b5f-e9a54af8494d/v1 |
| ef:activity/change/20260821T1554374006150000/9284 | name | ef:agent/bootstrap_labels | ef:flow/8c8a7b02-c2b2-4a94-8b5f-e9a54af8494d/v1 | ef:flow/8c8a7b02-c2b2-4a94-8b5f-e9a54af8494d/v2 |
| ef:activity/change/20260821T1554374006150000/9285 | synonyms | ef:agent/bootstrap_labels | ef:flow/8c8a7b02-c2b2-4a94-8b5f-e9a54af8494d/v2 | ef:flow/8c8a7b02-c2b2-4a94-8b5f-e9a54af8494d/v3 |
| ef:activity/change/20260821T1554374006150000/133458 | context | ef:agent/default_context_mapping | ef:flow/8c8a7b02-c2b2-4a94-8b5f-e9a54af8494d/v3 | ef:flow/8c8a7b02-c2b2-4a94-8b5f-e9a54af8494d/v4 |
| ef:activity/change/20260821T1554374006150000/133459 | context_iri | ef:agent/default_context_mapping | ef:flow/8c8a7b02-c2b2-4a94-8b5f-e9a54af8494d/v4 | ef:flow/8c8a7b02-c2b2-4a94-8b5f-e9a54af8494d/v5 |
| ef:activity/change/20260821T1554374006150000/216427 | unit_iri | ef:agent/unit_normalization | ef:flow/8c8a7b02-c2b2-4a94-8b5f-e9a54af8494d/v5 | ef:flow/8c8a7b02-c2b2-4a94-8b5f-e9a54af8494d/v6 |
| ef:activity/change/20260821T1554374006150000/223281 | prefLabel | ef:agent/normalize_name_case | ef:flow/8c8a7b02-c2b2-4a94-8b5f-e9a54af8494d/v6 | ef:flow/8c8a7b02-c2b2-4a94-8b5f-e9a54af8494d/v7 |
| ef:activity/change/20260821T1554374006150000/226913 | ec_numbers | ef:agent/ec_cross_check | ef:flow/8c8a7b02-c2b2-4a94-8b5f-e9a54af8494d/v7 | ef:flow/8c8a7b02-c2b2-4a94-8b5f-e9a54af8494d/v8 |
| ef:activity/change/20260821T1554374006150000/236062 | properties | ef:agent/enrich_references | ef:flow/8c8a7b02-c2b2-4a94-8b5f-e9a54af8494d/v8 | ef:flow/8c8a7b02-c2b2-4a94-8b5f-e9a54af8494d/v9 |
| ef:activity/change/20260821T1554374006150000/236063 | skos_definition | ef:agent/enrich_references | ef:flow/8c8a7b02-c2b2-4a94-8b5f-e9a54af8494d/v9 | ef:flow/8c8a7b02-c2b2-4a94-8b5f-e9a54af8494d/v10 |
| ef:activity/change/20260821T1554374006150000/236064 | references | ef:agent/enrich_references | ef:flow/8c8a7b02-c2b2-4a94-8b5f-e9a54af8494d/v10 | ef:flow/8c8a7b02-c2b2-4a94-8b5f-e9a54af8494d/v11 |
| ef:activity/change/20260821T1554374006150000/250869 | properties | ef:agent/rdkit_pre_consensus | ef:flow/8c8a7b02-c2b2-4a94-8b5f-e9a54af8494d/v11 | ef:flow/8c8a7b02-c2b2-4a94-8b5f-e9a54af8494d/v12 |
| ef:activity/change/20260821T1554374006150000/255723 | altLabel | ef:agent/chebi_altlabels | ef:flow/8c8a7b02-c2b2-4a94-8b5f-e9a54af8494d/v12 | ef:flow/8c8a7b02-c2b2-4a94-8b5f-e9a54af8494d/v13 |
| ef:activity/change/20260821T1554374006150000/265015 | prefLabel | ef:agent/consensus_match | ef:flow/8c8a7b02-c2b2-4a94-8b5f-e9a54af8494d/v13 | ef:flow/8c8a7b02-c2b2-4a94-8b5f-e9a54af8494d/v14 |
| ef:activity/change/20260821T1554374006150000/265016 | altLabel | ef:agent/consensus_match | ef:flow/8c8a7b02-c2b2-4a94-8b5f-e9a54af8494d/v14 | ef:flow/8c8a7b02-c2b2-4a94-8b5f-e9a54af8494d/v15 |
| ef:activity/change/20260821T1554374006150000/265017 | altLabel | ef:agent/consensus_match | ef:flow/8c8a7b02-c2b2-4a94-8b5f-e9a54af8494d/v15 | ef:flow/8c8a7b02-c2b2-4a94-8b5f-e9a54af8494d/v16 |
| ef:activity/change/20260821T1554374006150000/265018 | cas_match_labels | ef:agent/consensus_match | ef:flow/8c8a7b02-c2b2-4a94-8b5f-e9a54af8494d/v16 | ef:flow/8c8a7b02-c2b2-4a94-8b5f-e9a54af8494d/v17 |
| ef:activity/change/20260821T1554374006150000/276057 | properties | ef:agent/opsin_iupac | ef:flow/8c8a7b02-c2b2-4a94-8b5f-e9a54af8494d/v17 | ef:flow/8c8a7b02-c2b2-4a94-8b5f-e9a54af8494d/v18 |
| ef:activity/change/20260821T1554374006150000/282628 | properties | ef:agent/rdkit_post_consensus | ef:flow/8c8a7b02-c2b2-4a94-8b5f-e9a54af8494d/v18 | ef:flow/8c8a7b02-c2b2-4a94-8b5f-e9a54af8494d/v19 |
| ef:activity/change/20260821T1554374006150000/289202 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/8c8a7b02-c2b2-4a94-8b5f-e9a54af8494d/v19 | ef:flow/8c8a7b02-c2b2-4a94-8b5f-e9a54af8494d/v20 |
| ef:activity/change/20260821T1554374006150000/347724 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/8c8a7b02-c2b2-4a94-8b5f-e9a54af8494d/v20 | ef:flow/8c8a7b02-c2b2-4a94-8b5f-e9a54af8494d/v21 |
| ef:activity/change/20260821T1554374006150000/390401 | properties | ef:agent/normalise_property_values | ef:flow/8c8a7b02-c2b2-4a94-8b5f-e9a54af8494d/v21 | ef:flow/8c8a7b02-c2b2-4a94-8b5f-e9a54af8494d/v22 |
| ef:activity/change/20260821T1554374006150000/397994 | types | ef:agent/link_flows_to_their_substance | ef:flow/8c8a7b02-c2b2-4a94-8b5f-e9a54af8494d/v22 | ef:flow/8c8a7b02-c2b2-4a94-8b5f-e9a54af8494d/v23 |