1,2-butandiol
Everything that changed this flow. Back to the flow
08a91e70-3ddc-11dd-9957-0050c2490048
By field
14 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 4 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus | typed the way the ontology types it |
| altLabel | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 24242' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=1,2-butandiol||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'584-03-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-25e132a8d4a8e3bb: {'584-03-2': '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) |
| ec_numbers | 1 | ec_cross_check | Resolved from EC-inventory: 209-527-2 from CAS 584-03-2 |
| 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=['584-03-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_52682']; candidate_pubchem_cids=[11429, 641012]; selected_pubchem_cids=[11429]; 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 |
|---|---|---|---|---|---|
| 8,116 | bootstrap_labels | prefLabel | — | [{"@value":"1,2-butandiol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"… | Bootstrapped prefLabel from legacy name field |
| 8,117 | bootstrap_labels | name | 1,2-butandiol | — | Purged legacy name field to enforce prefLabel usage |
| 8,118 | bootstrap_labels | synonyms | [".+/-.-1,2-Butanediol",".alpha.-Butylene glycol","1,2-(Dihydroxy)butane","1,2-BUTANEDIOL","1,2-Butanediol, (.+/-.)-","… | [] | Removed legacy synonyms field in favor of structured labels |
| 36,660 | 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) |
| 36,661 | 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) |
| 216,046 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 226,880 | ec_cross_check | ec_numbers | [] | ["209-527-2"] | Resolved from EC-inventory: 209-527-2 from CAS 584-03-2 |
| 234,942 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10O2"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 234,943 | enrich_references | skos_definition | — | [{"@value":"A butanediol in which the two hydroxy groups are located at positions 1 and 2.","@language":"en","provenanc… | Merged ChEBI/PubChem definitions into skos:definition |
| 234,944 | enrich_references | references | [] | [{"@id":"gmelin:396703","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"con… | Added references with provenance; cas_numbers=['584-03-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_52682']; candidate_pubchem_cids=[11429, 641012]; selected_pubchem_cids=[11429]; 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 |
| 255,503 | chebi_altlabels | altLabel | [] | [{"@value":"1,2-(Dihydroxy)butane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | Added 8 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 258,355 | consensus_match | altLabel | [{"@value":"1,2-(Dihydroxy)butane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | [{"@value":"1,2-(Dihydroxy)butane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | group_key=1,2-butandiol||dimension=Environmental > media=Air > strata=Unknown; cas=584-03-2; added Common Chemistry CAS names as altLabel: (±)-Butane-1,2-diol, <span class="text-smallcaps">DL</span>-1,2-Butanediol, NSC 24242; object_uuid=fo-25e132a8d4a8e3bb |
| 258,356 | consensus_match | cas_match_labels | — | {"584-03-2":"exactMatch"} | group_key=1,2-butandiol||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'584-03-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-25e132a8d4a8e3bb: {'584-03-2': 'exactMatch'} |
| 275,705 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10O2"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1,2-butandiol' |
| 282,254 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10O2"],… | rdkit_post_consensus from 'CCC(O)CO'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,917 | strip_catalogue_altlabels | altLabel | [{"@value":"1,2-(Dihydroxy)butane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | [{"@value":"1,2-(Dihydroxy)butane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | Removed 1 catalogue altLabel value(s): 'NSC 24242' (registry code) |
| 299,349 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/08a91e70-3ddc-… | associations resolved on the elementary layer |
| 390,037 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10O2"],… | typed the way the ontology types it |
| 397,490 | 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/20260820T1812399309960000/8116 | prefLabel | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-9957-0050c2490048/v0 | ef:flow/08a91e70-3ddc-11dd-9957-0050c2490048/v1 |
| ef:activity/change/20260820T1812399309960000/8117 | name | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-9957-0050c2490048/v1 | ef:flow/08a91e70-3ddc-11dd-9957-0050c2490048/v2 |
| ef:activity/change/20260820T1812399309960000/8118 | synonyms | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-9957-0050c2490048/v2 | ef:flow/08a91e70-3ddc-11dd-9957-0050c2490048/v3 |
| ef:activity/change/20260820T1812399309960000/36660 | context | ef:agent/default_context_mapping | ef:flow/08a91e70-3ddc-11dd-9957-0050c2490048/v3 | ef:flow/08a91e70-3ddc-11dd-9957-0050c2490048/v4 |
| ef:activity/change/20260820T1812399309960000/36661 | context_iri | ef:agent/default_context_mapping | ef:flow/08a91e70-3ddc-11dd-9957-0050c2490048/v4 | ef:flow/08a91e70-3ddc-11dd-9957-0050c2490048/v5 |
| ef:activity/change/20260820T1812399309960000/216046 | unit_iri | ef:agent/unit_normalization | ef:flow/08a91e70-3ddc-11dd-9957-0050c2490048/v5 | ef:flow/08a91e70-3ddc-11dd-9957-0050c2490048/v6 |
| ef:activity/change/20260820T1812399309960000/226880 | ec_numbers | ef:agent/ec_cross_check | ef:flow/08a91e70-3ddc-11dd-9957-0050c2490048/v6 | ef:flow/08a91e70-3ddc-11dd-9957-0050c2490048/v7 |
| ef:activity/change/20260820T1812399309960000/234942 | properties | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-9957-0050c2490048/v7 | ef:flow/08a91e70-3ddc-11dd-9957-0050c2490048/v8 |
| ef:activity/change/20260820T1812399309960000/234943 | skos_definition | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-9957-0050c2490048/v8 | ef:flow/08a91e70-3ddc-11dd-9957-0050c2490048/v9 |
| ef:activity/change/20260820T1812399309960000/234944 | references | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-9957-0050c2490048/v9 | ef:flow/08a91e70-3ddc-11dd-9957-0050c2490048/v10 |
| ef:activity/change/20260820T1812399309960000/255503 | altLabel | ef:agent/chebi_altlabels | ef:flow/08a91e70-3ddc-11dd-9957-0050c2490048/v10 | ef:flow/08a91e70-3ddc-11dd-9957-0050c2490048/v11 |
| ef:activity/change/20260820T1812399309960000/258355 | altLabel | ef:agent/consensus_match | ef:flow/08a91e70-3ddc-11dd-9957-0050c2490048/v11 | ef:flow/08a91e70-3ddc-11dd-9957-0050c2490048/v12 |
| ef:activity/change/20260820T1812399309960000/258356 | cas_match_labels | ef:agent/consensus_match | ef:flow/08a91e70-3ddc-11dd-9957-0050c2490048/v12 | ef:flow/08a91e70-3ddc-11dd-9957-0050c2490048/v13 |
| ef:activity/change/20260820T1812399309960000/275705 | properties | ef:agent/opsin_iupac | ef:flow/08a91e70-3ddc-11dd-9957-0050c2490048/v13 | ef:flow/08a91e70-3ddc-11dd-9957-0050c2490048/v14 |
| ef:activity/change/20260820T1812399309960000/282254 | properties | ef:agent/rdkit_post_consensus | ef:flow/08a91e70-3ddc-11dd-9957-0050c2490048/v14 | ef:flow/08a91e70-3ddc-11dd-9957-0050c2490048/v15 |
| ef:activity/change/20260820T1812399309960000/288917 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/08a91e70-3ddc-11dd-9957-0050c2490048/v15 | ef:flow/08a91e70-3ddc-11dd-9957-0050c2490048/v16 |
| ef:activity/change/20260820T1812399309960000/299349 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/08a91e70-3ddc-11dd-9957-0050c2490048/v16 | ef:flow/08a91e70-3ddc-11dd-9957-0050c2490048/v17 |
| ef:activity/change/20260820T1812399309960000/390037 | properties | ef:agent/normalise_property_values | ef:flow/08a91e70-3ddc-11dd-9957-0050c2490048/v17 | ef:flow/08a91e70-3ddc-11dd-9957-0050c2490048/v18 |
| ef:activity/change/20260820T1812399309960000/397490 | types | ef:agent/link_flows_to_their_substance | ef:flow/08a91e70-3ddc-11dd-9957-0050c2490048/v18 | ef:flow/08a91e70-3ddc-11dd-9957-0050c2490048/v19 |