Butyl Isothiocyanate
Everything that changed this flow. Back to the flow
3f0c5fad-ab88-4920-a52f-02081be2dac2
By field
13 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 194808' (registry 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=butylisothiocyanate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'592-82-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f18b68b8228d6e4b: {'592-82-5': '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 |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['592-82-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_50534']; candidate_pubchem_cids=[11613, 19695901]; selected_pubchem_cids=[11613]; 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 |
|---|---|---|---|---|---|
| 6,181 | bootstrap_labels | prefLabel | — | [{"@value":"butyl isothiocyanate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | Bootstrapped prefLabel from legacy name field |
| 6,182 | bootstrap_labels | name | butyl isothiocyanate | — | Purged legacy name field to enforce prefLabel usage |
| 6,183 | bootstrap_labels | synonyms | ["1-Isothiocyanatobutane","AC1L1XQI","AC1Q2WU0","AKOS000118861","Butane, 1-isothiocyanato-","Butyl mustard oil","I0249"… | [] | Removed legacy synonyms field in favor of structured labels |
| 78,988 | 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 |
| 78,989 | 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 |
| 215,405 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,521 | normalize_name_case | prefLabel | [{"@value":"butyl isothiocyanate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | [{"@value":"Butyl Isothiocyanate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 233,126 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H9NS"],"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 233,127 | enrich_references | skos_definition | — | [{"@value":"An isothiocyanate having a butyl group attached to the nitrogen.","@language":"en","provenance":{"prov:wasG… | Merged ChEBI/PubChem definitions into skos:definition |
| 233,128 | enrich_references | references | [] | [{"@id":"gmelin:240184","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"con… | Added references with provenance; cas_numbers=['592-82-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_50534']; candidate_pubchem_cids=[11613, 19695901]; selected_pubchem_cids=[11613]; 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 |
| 255,151 | chebi_altlabels | altLabel | [] | [{"@value":"1-isothiocyanatobutane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribu… | Added 8 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 264,616 | consensus_match | altLabel | [{"@value":"1-isothiocyanatobutane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribu… | [{"@value":"1-isothiocyanatobutane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribu… | group_key=butylisothiocyanate||dimension=Environmental > media=Air > strata=Unknown; cas=592-82-5; added Common Chemistry CAS names as altLabel: Butane, 1-isothiocyanato-, NSC 194808; object_uuid=fo-f18b68b8228d6e4b |
| 264,617 | consensus_match | cas_match_labels | — | {"592-82-5":"exactMatch"} | group_key=butylisothiocyanate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'592-82-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f18b68b8228d6e4b: {'592-82-5': 'exactMatch'} |
| 275,168 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H9NS"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H9NS"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Butyl Isothiocyanate' |
| 281,666 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H9NS"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H9NS"],"… | rdkit_post_consensus from 'CCCCN=C=S'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,513 | strip_catalogue_altlabels | altLabel | [{"@value":"1-isothiocyanatobutane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribu… | [{"@value":"1-isothiocyanatobutane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribu… | Removed 1 catalogue altLabel value(s): 'NSC 194808' (registry code) |
| 320,508 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/3f0c5fad-ab88-… | associations resolved on the elementary layer |
| 389,471 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H9NS"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H9NS"],"… | typed the way the ontology types it |
| 396,639 | 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/20260821T1554374006150000/6181 | prefLabel | ef:agent/bootstrap_labels | ef:flow/3f0c5fad-ab88-4920-a52f-02081be2dac2/v0 | ef:flow/3f0c5fad-ab88-4920-a52f-02081be2dac2/v1 |
| ef:activity/change/20260821T1554374006150000/6182 | name | ef:agent/bootstrap_labels | ef:flow/3f0c5fad-ab88-4920-a52f-02081be2dac2/v1 | ef:flow/3f0c5fad-ab88-4920-a52f-02081be2dac2/v2 |
| ef:activity/change/20260821T1554374006150000/6183 | synonyms | ef:agent/bootstrap_labels | ef:flow/3f0c5fad-ab88-4920-a52f-02081be2dac2/v2 | ef:flow/3f0c5fad-ab88-4920-a52f-02081be2dac2/v3 |
| ef:activity/change/20260821T1554374006150000/78988 | context | ef:agent/default_context_mapping | ef:flow/3f0c5fad-ab88-4920-a52f-02081be2dac2/v3 | ef:flow/3f0c5fad-ab88-4920-a52f-02081be2dac2/v4 |
| ef:activity/change/20260821T1554374006150000/78989 | context_iri | ef:agent/default_context_mapping | ef:flow/3f0c5fad-ab88-4920-a52f-02081be2dac2/v4 | ef:flow/3f0c5fad-ab88-4920-a52f-02081be2dac2/v5 |
| ef:activity/change/20260821T1554374006150000/215405 | unit_iri | ef:agent/unit_normalization | ef:flow/3f0c5fad-ab88-4920-a52f-02081be2dac2/v5 | ef:flow/3f0c5fad-ab88-4920-a52f-02081be2dac2/v6 |
| ef:activity/change/20260821T1554374006150000/222521 | prefLabel | ef:agent/normalize_name_case | ef:flow/3f0c5fad-ab88-4920-a52f-02081be2dac2/v6 | ef:flow/3f0c5fad-ab88-4920-a52f-02081be2dac2/v7 |
| ef:activity/change/20260821T1554374006150000/233126 | properties | ef:agent/enrich_references | ef:flow/3f0c5fad-ab88-4920-a52f-02081be2dac2/v7 | ef:flow/3f0c5fad-ab88-4920-a52f-02081be2dac2/v8 |
| ef:activity/change/20260821T1554374006150000/233127 | skos_definition | ef:agent/enrich_references | ef:flow/3f0c5fad-ab88-4920-a52f-02081be2dac2/v8 | ef:flow/3f0c5fad-ab88-4920-a52f-02081be2dac2/v9 |
| ef:activity/change/20260821T1554374006150000/233128 | references | ef:agent/enrich_references | ef:flow/3f0c5fad-ab88-4920-a52f-02081be2dac2/v9 | ef:flow/3f0c5fad-ab88-4920-a52f-02081be2dac2/v10 |
| ef:activity/change/20260821T1554374006150000/255151 | altLabel | ef:agent/chebi_altlabels | ef:flow/3f0c5fad-ab88-4920-a52f-02081be2dac2/v10 | ef:flow/3f0c5fad-ab88-4920-a52f-02081be2dac2/v11 |
| ef:activity/change/20260821T1554374006150000/264616 | altLabel | ef:agent/consensus_match | ef:flow/3f0c5fad-ab88-4920-a52f-02081be2dac2/v11 | ef:flow/3f0c5fad-ab88-4920-a52f-02081be2dac2/v12 |
| ef:activity/change/20260821T1554374006150000/264617 | cas_match_labels | ef:agent/consensus_match | ef:flow/3f0c5fad-ab88-4920-a52f-02081be2dac2/v12 | ef:flow/3f0c5fad-ab88-4920-a52f-02081be2dac2/v13 |
| ef:activity/change/20260821T1554374006150000/275168 | properties | ef:agent/opsin_iupac | ef:flow/3f0c5fad-ab88-4920-a52f-02081be2dac2/v13 | ef:flow/3f0c5fad-ab88-4920-a52f-02081be2dac2/v14 |
| ef:activity/change/20260821T1554374006150000/281666 | properties | ef:agent/rdkit_post_consensus | ef:flow/3f0c5fad-ab88-4920-a52f-02081be2dac2/v14 | ef:flow/3f0c5fad-ab88-4920-a52f-02081be2dac2/v15 |
| ef:activity/change/20260821T1554374006150000/288513 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/3f0c5fad-ab88-4920-a52f-02081be2dac2/v15 | ef:flow/3f0c5fad-ab88-4920-a52f-02081be2dac2/v16 |
| ef:activity/change/20260821T1554374006150000/320508 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/3f0c5fad-ab88-4920-a52f-02081be2dac2/v16 | ef:flow/3f0c5fad-ab88-4920-a52f-02081be2dac2/v17 |
| ef:activity/change/20260821T1554374006150000/389471 | properties | ef:agent/normalise_property_values | ef:flow/3f0c5fad-ab88-4920-a52f-02081be2dac2/v17 | ef:flow/3f0c5fad-ab88-4920-a52f-02081be2dac2/v18 |
| ef:activity/change/20260821T1554374006150000/396639 | types | ef:agent/link_flows_to_their_substance | ef:flow/3f0c5fad-ab88-4920-a52f-02081be2dac2/v18 | ef:flow/3f0c5fad-ab88-4920-a52f-02081be2dac2/v19 |