Sodium O-isobutyl Dithiocarbonate
Everything that changed this flow. Back to the flow
f073acf0-bd4a-430c-9fbd-eec026696418
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus, withhold_ambiguous_mass | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 2 catalogue altLabel value(s): 'Z 14' (grade code), 'Z 14 (xanthate)' (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=sodiumo-isobutyldithiocarbonate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'25306-75-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-675eb90f434a584f: {'25306-75-6': '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 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) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['25306-75-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[32870, 23683691, 87277720]; selected_pubchem_cids=[87277720]; 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 |
|---|---|---|---|---|---|
| 1,519 | bootstrap_labels | prefLabel | — | [{"@value":"sodium O-isobutyl dithiocarbonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","pro… | Bootstrapped prefLabel from legacy name field |
| 1,520 | bootstrap_labels | name | sodium O-isobutyl dithiocarbonate | — | Purged legacy name field to enforce prefLabel usage |
| 1,521 | bootstrap_labels | synonyms | ["AC1L1OL9","Carbonodithioic acid, O-(2-methylpropyl) ester, sodium salt","Carbonodithioic acid, O-(2-methylpropyl) est… | [] | Removed legacy synonyms field in favor of structured labels |
| 193,474 | 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) |
| 193,475 | 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) |
| 213,848 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,444 | normalize_name_case | prefLabel | [{"@value":"sodium O-isobutyl dithiocarbonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","pro… | [{"@value":"Sodium O-isobutyl Dithiocarbonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","pro… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 228,645 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10NaOS2… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 228,646 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 228,647 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=25306-75-6","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['25306-75-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[32870, 23683691, 87277720]; selected_pubchem_cids=[87277720]; 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 |
| 248,744 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10NaOS2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10NaOS2… | rdkit_pre_consensus from 'CC(C)COC(=S)S.[Na]'; added: molecular_mass, monoisotopic_mass |
| 272,009 | consensus_match | altLabel | [] | [{"@value":"Carbonic acid, dithio-, <em>O</em>-isobutyl ester, sodium salt","@language":"en","source":{"prov:wasGenerat… | group_key=sodiumo-isobutyldithiocarbonate||dimension=Environmental > media=Water > water_body=Unknown; cas=25306-75-6; added Common Chemistry CAS names as altLabel: Carbonic acid, dithio-, <em>O</em>-isobutyl ester, sodium salt, Carbonodithioic acid, <em>O</em>-(2-methylpropyl) ester, sodium salt, Carbonodithioic acid, <em>O</em>-(2-methylpropyl) ester, sodium salt (1:1), SIBX, SIBX (flotation agent), Sodium isobutyl xanthate, Z 14, Z 14 (xanthate); object_uuid=fo-675eb90f434a584f |
| 272,010 | consensus_match | cas_match_labels | — | {"25306-75-6":"exactMatch"} | group_key=sodiumo-isobutyldithiocarbonate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'25306-75-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-675eb90f434a584f: {'25306-75-6': 'exactMatch'} |
| 273,880 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10NaOS2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10NaOS2… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Sodium O-isobutyl Dithiocarbonate' |
| 280,270 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10NaOS2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10NaOS2… | rdkit_post_consensus from 'CC(C)COC(=S)[S-].[Na+]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 286,761 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10NaOS2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10NaOS2… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 287,577 | strip_catalogue_altlabels | altLabel | [{"@value":"Carbonic acid, dithio-, <em>O</em>-isobutyl ester, sodium salt","@language":"en","source":{"prov:wasGenerat… | [{"@value":"Carbonic acid, dithio-, O-isobutyl ester, sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"co… | Removed 2 catalogue altLabel value(s): 'Z 14' (grade code), 'Z 14 (xanthate)' (grade code) |
| 377,789 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/f073acf0-bd4a-… | associations resolved on the elementary layer |
| 394,784 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | 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/20260820T1416470405690000/1519 | prefLabel | ef:agent/bootstrap_labels | ef:flow/f073acf0-bd4a-430c-9fbd-eec026696418/v0 | ef:flow/f073acf0-bd4a-430c-9fbd-eec026696418/v1 |
| ef:activity/change/20260820T1416470405690000/1520 | name | ef:agent/bootstrap_labels | ef:flow/f073acf0-bd4a-430c-9fbd-eec026696418/v1 | ef:flow/f073acf0-bd4a-430c-9fbd-eec026696418/v2 |
| ef:activity/change/20260820T1416470405690000/1521 | synonyms | ef:agent/bootstrap_labels | ef:flow/f073acf0-bd4a-430c-9fbd-eec026696418/v2 | ef:flow/f073acf0-bd4a-430c-9fbd-eec026696418/v3 |
| ef:activity/change/20260820T1416470405690000/193474 | context | ef:agent/default_context_mapping | ef:flow/f073acf0-bd4a-430c-9fbd-eec026696418/v3 | ef:flow/f073acf0-bd4a-430c-9fbd-eec026696418/v4 |
| ef:activity/change/20260820T1416470405690000/193475 | context_iri | ef:agent/default_context_mapping | ef:flow/f073acf0-bd4a-430c-9fbd-eec026696418/v4 | ef:flow/f073acf0-bd4a-430c-9fbd-eec026696418/v5 |
| ef:activity/change/20260820T1416470405690000/213848 | unit_iri | ef:agent/unit_normalization | ef:flow/f073acf0-bd4a-430c-9fbd-eec026696418/v5 | ef:flow/f073acf0-bd4a-430c-9fbd-eec026696418/v6 |
| ef:activity/change/20260820T1416470405690000/221444 | prefLabel | ef:agent/normalize_name_case | ef:flow/f073acf0-bd4a-430c-9fbd-eec026696418/v6 | ef:flow/f073acf0-bd4a-430c-9fbd-eec026696418/v7 |
| ef:activity/change/20260820T1416470405690000/228645 | properties | ef:agent/enrich_references | ef:flow/f073acf0-bd4a-430c-9fbd-eec026696418/v7 | ef:flow/f073acf0-bd4a-430c-9fbd-eec026696418/v8 |
| ef:activity/change/20260820T1416470405690000/228646 | skos_definition | ef:agent/enrich_references | ef:flow/f073acf0-bd4a-430c-9fbd-eec026696418/v8 | ef:flow/f073acf0-bd4a-430c-9fbd-eec026696418/v9 |
| ef:activity/change/20260820T1416470405690000/228647 | references | ef:agent/enrich_references | ef:flow/f073acf0-bd4a-430c-9fbd-eec026696418/v9 | ef:flow/f073acf0-bd4a-430c-9fbd-eec026696418/v10 |
| ef:activity/change/20260820T1416470405690000/248744 | properties | ef:agent/rdkit_pre_consensus | ef:flow/f073acf0-bd4a-430c-9fbd-eec026696418/v10 | ef:flow/f073acf0-bd4a-430c-9fbd-eec026696418/v11 |
| ef:activity/change/20260820T1416470405690000/272009 | altLabel | ef:agent/consensus_match | ef:flow/f073acf0-bd4a-430c-9fbd-eec026696418/v11 | ef:flow/f073acf0-bd4a-430c-9fbd-eec026696418/v12 |
| ef:activity/change/20260820T1416470405690000/272010 | cas_match_labels | ef:agent/consensus_match | ef:flow/f073acf0-bd4a-430c-9fbd-eec026696418/v12 | ef:flow/f073acf0-bd4a-430c-9fbd-eec026696418/v13 |
| ef:activity/change/20260820T1416470405690000/273880 | properties | ef:agent/opsin_iupac | ef:flow/f073acf0-bd4a-430c-9fbd-eec026696418/v13 | ef:flow/f073acf0-bd4a-430c-9fbd-eec026696418/v14 |
| ef:activity/change/20260820T1416470405690000/280270 | properties | ef:agent/rdkit_post_consensus | ef:flow/f073acf0-bd4a-430c-9fbd-eec026696418/v14 | ef:flow/f073acf0-bd4a-430c-9fbd-eec026696418/v15 |
| ef:activity/change/20260820T1416470405690000/286761 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/f073acf0-bd4a-430c-9fbd-eec026696418/v15 | ef:flow/f073acf0-bd4a-430c-9fbd-eec026696418/v16 |
| ef:activity/change/20260820T1416470405690000/287577 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/f073acf0-bd4a-430c-9fbd-eec026696418/v16 | ef:flow/f073acf0-bd4a-430c-9fbd-eec026696418/v17 |
| ef:activity/change/20260820T1416470405690000/377789 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/f073acf0-bd4a-430c-9fbd-eec026696418/v17 | ef:flow/f073acf0-bd4a-430c-9fbd-eec026696418/v18 |
| ef:activity/change/20260820T1416470405690000/394784 | types | ef:agent/link_flows_to_their_substance | ef:flow/f073acf0-bd4a-430c-9fbd-eec026696418/v18 | ef:flow/f073acf0-bd4a-430c-9fbd-eec026696418/v19 |