(r)-3-chloropropane-1,2-diol
Everything that changed this flow. Back to the flow
8795dfdc-b304-49fa-ab10-74cbc8395e96
By field
13 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 | chebi_altlabels, consensus_match, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| cas_match_labels | 1 | consensus_match | group_key=(r)-3-chloropropane-1,2-diol||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'pubchem']; cas_sources={'57090-45-6': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ce998d9997c8b94f: {'57090-45-6': '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 air > Emissions to air, unspecified (long-term) |
| 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 (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['57090-45-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_18663']; candidate_pubchem_cids=[7290, 148793, 148904]; selected_pubchem_cids=[148793]; 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 |
|---|---|---|---|---|---|
| 10,181 | bootstrap_labels | prefLabel | — | [{"@value":"(r)-3-chloropropane-1,2-diol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:was… | Bootstrapped prefLabel from legacy name field |
| 10,182 | bootstrap_labels | name | (r)-3-chloropropane-1,2-diol | — | Purged legacy name field to enforce prefLabel usage |
| 10,183 | bootstrap_labels | synonyms | ["(r)-3-chloropropane-1,2-diol","(2r)-3-chloropropane-1,2-diol"] | [] | Removed legacy synonyms field in favor of structured labels |
| 130,390 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 130,391 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 216,725 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 236,902 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H7ClO2"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 236,903 | enrich_references | skos_definition | — | [{"@value":"The (R)-stereoisomer of 3-chloro-1,2-propanediol.","@language":"en","provenance":{"prov:wasGeneratedBy":"en… | Merged ChEBI/PubChem definitions into skos:definition |
| 236,904 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J72.478E","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['57090-45-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_18663']; candidate_pubchem_cids=[7290, 148793, 148904]; selected_pubchem_cids=[148793]; 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 |
| 251,117 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H7ClO2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H7ClO2"]… | rdkit_pre_consensus from 'C(C(CCl)O)O'; added: inchi2d_string, monoisotopic_mass |
| 255,835 | chebi_altlabels | altLabel | [] | [{"@value":"(-)-alpha-chlorohydrin","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribu… | Added 3 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 257,891 | consensus_match | altLabel | [{"@value":"(-)-alpha-chlorohydrin","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribu… | [{"@value":"(-)-alpha-chlorohydrin","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribu… | group_key=(r)-3-chloropropane-1,2-diol||dimension=Environmental > media=Water > water_body=Surface water; cas=57090-45-6; added Common Chemistry CAS names as altLabel: (-)-3-Chloro-1,2-propanediol, (2<em>R</em>)-3-Chloro-1,2-propanediol, (<em>R</em>)-(-)-3-Chloro-1,2-propanediol, (<em>R</em>)-α-Chlorohydrin, (R)-3-Chloropropan-1,2-diol, (R)-Monochlorohydrin, 1,2-Propanediol 3-chloro-, (2R)-, 1,2-Propanediol, 3-chloro-, (2<em>R</em>)-, 1,2-Propanediol, 3-chloro-, (<em>R</em>)-; object_uuid=fo-ce998d9997c8b94f |
| 257,892 | consensus_match | cas_match_labels | — | {"57090-45-6":"exactMatch"} | group_key=(r)-3-chloropropane-1,2-diol||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'pubchem']; cas_sources={'57090-45-6': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ce998d9997c8b94f: {'57090-45-6': 'exactMatch'} |
| 276,317 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H7ClO2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H7ClO2"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '(r)-3-chloropropane-1,2-diol' |
| 282,906 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H7ClO2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H7ClO2"]… | rdkit_post_consensus from 'OC[C@@H](O)CCl'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,522 | dedupe_altlabels | altLabel | [{"@value":"(-)-alpha-chlorohydrin","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribu… | [{"@value":"(-)-alpha-chlorohydrin","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribu… | Deduplicated altLabel values and removed entries matching prefLabel |
| 346,215 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/8795dfdc-b304-… | associations resolved on the elementary layer |
| 390,662 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H7ClO2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H7ClO2"]… | typed the way the ontology types it |
| 398,361 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 398,362 | link_flows_to_their_substance | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H7ClO2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H7ClO2"]… | 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/20260820T0738569779880000/10181 | prefLabel | ef:agent/bootstrap_labels | ef:flow/8795dfdc-b304-49fa-ab10-74cbc8395e96/v0 | ef:flow/8795dfdc-b304-49fa-ab10-74cbc8395e96/v1 |
| ef:activity/change/20260820T0738569779880000/10182 | name | ef:agent/bootstrap_labels | ef:flow/8795dfdc-b304-49fa-ab10-74cbc8395e96/v1 | ef:flow/8795dfdc-b304-49fa-ab10-74cbc8395e96/v2 |
| ef:activity/change/20260820T0738569779880000/10183 | synonyms | ef:agent/bootstrap_labels | ef:flow/8795dfdc-b304-49fa-ab10-74cbc8395e96/v2 | ef:flow/8795dfdc-b304-49fa-ab10-74cbc8395e96/v3 |
| ef:activity/change/20260820T0738569779880000/130390 | context | ef:agent/default_context_mapping | ef:flow/8795dfdc-b304-49fa-ab10-74cbc8395e96/v3 | ef:flow/8795dfdc-b304-49fa-ab10-74cbc8395e96/v4 |
| ef:activity/change/20260820T0738569779880000/130391 | context_iri | ef:agent/default_context_mapping | ef:flow/8795dfdc-b304-49fa-ab10-74cbc8395e96/v4 | ef:flow/8795dfdc-b304-49fa-ab10-74cbc8395e96/v5 |
| ef:activity/change/20260820T0738569779880000/216725 | unit_iri | ef:agent/unit_normalization | ef:flow/8795dfdc-b304-49fa-ab10-74cbc8395e96/v5 | ef:flow/8795dfdc-b304-49fa-ab10-74cbc8395e96/v6 |
| ef:activity/change/20260820T0738569779880000/236902 | properties | ef:agent/enrich_references | ef:flow/8795dfdc-b304-49fa-ab10-74cbc8395e96/v6 | ef:flow/8795dfdc-b304-49fa-ab10-74cbc8395e96/v7 |
| ef:activity/change/20260820T0738569779880000/236903 | skos_definition | ef:agent/enrich_references | ef:flow/8795dfdc-b304-49fa-ab10-74cbc8395e96/v7 | ef:flow/8795dfdc-b304-49fa-ab10-74cbc8395e96/v8 |
| ef:activity/change/20260820T0738569779880000/236904 | references | ef:agent/enrich_references | ef:flow/8795dfdc-b304-49fa-ab10-74cbc8395e96/v8 | ef:flow/8795dfdc-b304-49fa-ab10-74cbc8395e96/v9 |
| ef:activity/change/20260820T0738569779880000/251117 | properties | ef:agent/rdkit_pre_consensus | ef:flow/8795dfdc-b304-49fa-ab10-74cbc8395e96/v9 | ef:flow/8795dfdc-b304-49fa-ab10-74cbc8395e96/v10 |
| ef:activity/change/20260820T0738569779880000/255835 | altLabel | ef:agent/chebi_altlabels | ef:flow/8795dfdc-b304-49fa-ab10-74cbc8395e96/v10 | ef:flow/8795dfdc-b304-49fa-ab10-74cbc8395e96/v11 |
| ef:activity/change/20260820T0738569779880000/257891 | altLabel | ef:agent/consensus_match | ef:flow/8795dfdc-b304-49fa-ab10-74cbc8395e96/v11 | ef:flow/8795dfdc-b304-49fa-ab10-74cbc8395e96/v12 |
| ef:activity/change/20260820T0738569779880000/257892 | cas_match_labels | ef:agent/consensus_match | ef:flow/8795dfdc-b304-49fa-ab10-74cbc8395e96/v12 | ef:flow/8795dfdc-b304-49fa-ab10-74cbc8395e96/v13 |
| ef:activity/change/20260820T0738569779880000/276317 | properties | ef:agent/opsin_iupac | ef:flow/8795dfdc-b304-49fa-ab10-74cbc8395e96/v13 | ef:flow/8795dfdc-b304-49fa-ab10-74cbc8395e96/v14 |
| ef:activity/change/20260820T0738569779880000/282906 | properties | ef:agent/rdkit_post_consensus | ef:flow/8795dfdc-b304-49fa-ab10-74cbc8395e96/v14 | ef:flow/8795dfdc-b304-49fa-ab10-74cbc8395e96/v15 |
| ef:activity/change/20260820T0738569779880000/292522 | altLabel | ef:agent/dedupe_altlabels | ef:flow/8795dfdc-b304-49fa-ab10-74cbc8395e96/v15 | ef:flow/8795dfdc-b304-49fa-ab10-74cbc8395e96/v16 |
| ef:activity/change/20260820T0738569779880000/346215 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/8795dfdc-b304-49fa-ab10-74cbc8395e96/v16 | ef:flow/8795dfdc-b304-49fa-ab10-74cbc8395e96/v17 |
| ef:activity/change/20260820T0738569779880000/390662 | properties | ef:agent/normalise_property_values | ef:flow/8795dfdc-b304-49fa-ab10-74cbc8395e96/v17 | ef:flow/8795dfdc-b304-49fa-ab10-74cbc8395e96/v18 |
| ef:activity/change/20260820T0738569779880000/398361 | types | ef:agent/link_flows_to_their_substance | ef:flow/8795dfdc-b304-49fa-ab10-74cbc8395e96/v18 | ef:flow/8795dfdc-b304-49fa-ab10-74cbc8395e96/v19 |
| ef:activity/change/20260820T0738569779880000/398362 | properties | ef:agent/link_flows_to_their_substance | ef:flow/8795dfdc-b304-49fa-ab10-74cbc8395e96/v19 | ef:flow/8795dfdc-b304-49fa-ab10-74cbc8395e96/v20 |