Potassium 3-methylbutoxymethanedithioate
Everything that changed this flow. Back to the flow
4e7fce0f-8456-4b33-b65f-f05dbb1795dc
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, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| 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=potassium3-methylbutoxymethanedithioate||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'928-70-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4c970d937fe6461c: {'928-70-1': '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=['928-70-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[23691977, 24181109, 54598416, 170991189]; selected_pubchem_cids=[24181109]; 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 |
|---|---|---|---|---|---|
| 20,295 | bootstrap_labels | prefLabel | — | [{"@value":"potassium 3-methylbutoxymethanedithioate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_label… | Bootstrapped prefLabel from legacy name field |
| 20,296 | bootstrap_labels | name | potassium 3-methylbutoxymethanedithioate | — | Purged legacy name field to enforce prefLabel usage |
| 20,297 | bootstrap_labels | synonyms | ["organic","potassiumisopentyldithiocarbonate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 96,576 | 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 |
| 96,577 | 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 |
| 219,915 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,692 | normalize_name_case | prefLabel | [{"@value":"potassium 3-methylbutoxymethanedithioate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_label… | [{"@value":"Potassium 3-methylbutoxymethanedithioate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_label… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 245,943 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12KOS2"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 245,944 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 245,945 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=928-70-1","provenance":{"prov:wasGeneratedBy":"enrich_references… | Added references with provenance; cas_numbers=['928-70-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[23691977, 24181109, 54598416, 170991189]; selected_pubchem_cids=[24181109]; 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 |
| 253,725 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12KOS2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12KOS2"… | rdkit_pre_consensus from 'CC(C)CCOC(=S)S.[K]'; added: molecular_mass, monoisotopic_mass |
| 270,832 | consensus_match | altLabel | [] | [{"@value":"Carbonic acid, dithio-, <em>O</em>-isopentyl ester, potassium salt","@language":"en","source":{"prov:wasGen… | group_key=potassium3-methylbutoxymethanedithioate||dimension=Environmental > media=Water > water_body=Long-term; cas=928-70-1; added Common Chemistry CAS names as altLabel: Carbonic acid, dithio-, <em>O</em>-isopentyl ester, potassium salt, Carbonodithioic acid, <em>O</em>-(3-methylbutyl) ester, potassium salt, Carbonodithioic acid, <em>O</em>-(3-methylbutyl) ester, potassium salt (1:1), Isopentyl alcohol, dithiocarbonate, potassium salt, Potassium <em>O</em>-isoamyl xanthate, Potassium isoamyl xanthate, Potassium isopentyl xanthate, Potassium isopentyl xanthogenate; object_uuid=fo-4c970d937fe6461c |
| 270,833 | consensus_match | cas_match_labels | — | {"928-70-1":"exactMatch"} | group_key=potassium3-methylbutoxymethanedithioate||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'928-70-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4c970d937fe6461c: {'928-70-1': 'exactMatch'} |
| 278,936 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12KOS2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12KOS2"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Potassium 3-methylbutoxymethanedithioate' |
| 285,747 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12KOS2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H11KOS2"… | rdkit_post_consensus from 'CC(C)CCOC(=S)[S-].[K+]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 287,171 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H11KOS2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H11KOS2"… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 293,079 | dedupe_altlabels | altLabel | [{"@value":"Carbonic acid, dithio-, <em>O</em>-isopentyl ester, potassium salt","@language":"en","source":{"prov:wasGen… | [{"@value":"Carbonic acid, dithio-, O-isopentyl ester, potassium salt","@language":"en","source":{"prov:wasGeneratedBy"… | Deduplicated altLabel values and removed entries matching prefLabel |
| 329,286 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4e7fce0f-8456-… | associations resolved on the elementary layer |
| 402,211 | 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/20260821T1554374006150000/20295 | prefLabel | ef:agent/bootstrap_labels | ef:flow/4e7fce0f-8456-4b33-b65f-f05dbb1795dc/v0 | ef:flow/4e7fce0f-8456-4b33-b65f-f05dbb1795dc/v1 |
| ef:activity/change/20260821T1554374006150000/20296 | name | ef:agent/bootstrap_labels | ef:flow/4e7fce0f-8456-4b33-b65f-f05dbb1795dc/v1 | ef:flow/4e7fce0f-8456-4b33-b65f-f05dbb1795dc/v2 |
| ef:activity/change/20260821T1554374006150000/20297 | synonyms | ef:agent/bootstrap_labels | ef:flow/4e7fce0f-8456-4b33-b65f-f05dbb1795dc/v2 | ef:flow/4e7fce0f-8456-4b33-b65f-f05dbb1795dc/v3 |
| ef:activity/change/20260821T1554374006150000/96576 | context | ef:agent/default_context_mapping | ef:flow/4e7fce0f-8456-4b33-b65f-f05dbb1795dc/v3 | ef:flow/4e7fce0f-8456-4b33-b65f-f05dbb1795dc/v4 |
| ef:activity/change/20260821T1554374006150000/96577 | context_iri | ef:agent/default_context_mapping | ef:flow/4e7fce0f-8456-4b33-b65f-f05dbb1795dc/v4 | ef:flow/4e7fce0f-8456-4b33-b65f-f05dbb1795dc/v5 |
| ef:activity/change/20260821T1554374006150000/219915 | unit_iri | ef:agent/unit_normalization | ef:flow/4e7fce0f-8456-4b33-b65f-f05dbb1795dc/v5 | ef:flow/4e7fce0f-8456-4b33-b65f-f05dbb1795dc/v6 |
| ef:activity/change/20260821T1554374006150000/225692 | prefLabel | ef:agent/normalize_name_case | ef:flow/4e7fce0f-8456-4b33-b65f-f05dbb1795dc/v6 | ef:flow/4e7fce0f-8456-4b33-b65f-f05dbb1795dc/v7 |
| ef:activity/change/20260821T1554374006150000/245943 | properties | ef:agent/enrich_references | ef:flow/4e7fce0f-8456-4b33-b65f-f05dbb1795dc/v7 | ef:flow/4e7fce0f-8456-4b33-b65f-f05dbb1795dc/v8 |
| ef:activity/change/20260821T1554374006150000/245944 | skos_definition | ef:agent/enrich_references | ef:flow/4e7fce0f-8456-4b33-b65f-f05dbb1795dc/v8 | ef:flow/4e7fce0f-8456-4b33-b65f-f05dbb1795dc/v9 |
| ef:activity/change/20260821T1554374006150000/245945 | references | ef:agent/enrich_references | ef:flow/4e7fce0f-8456-4b33-b65f-f05dbb1795dc/v9 | ef:flow/4e7fce0f-8456-4b33-b65f-f05dbb1795dc/v10 |
| ef:activity/change/20260821T1554374006150000/253725 | properties | ef:agent/rdkit_pre_consensus | ef:flow/4e7fce0f-8456-4b33-b65f-f05dbb1795dc/v10 | ef:flow/4e7fce0f-8456-4b33-b65f-f05dbb1795dc/v11 |
| ef:activity/change/20260821T1554374006150000/270832 | altLabel | ef:agent/consensus_match | ef:flow/4e7fce0f-8456-4b33-b65f-f05dbb1795dc/v11 | ef:flow/4e7fce0f-8456-4b33-b65f-f05dbb1795dc/v12 |
| ef:activity/change/20260821T1554374006150000/270833 | cas_match_labels | ef:agent/consensus_match | ef:flow/4e7fce0f-8456-4b33-b65f-f05dbb1795dc/v12 | ef:flow/4e7fce0f-8456-4b33-b65f-f05dbb1795dc/v13 |
| ef:activity/change/20260821T1554374006150000/278936 | properties | ef:agent/opsin_iupac | ef:flow/4e7fce0f-8456-4b33-b65f-f05dbb1795dc/v13 | ef:flow/4e7fce0f-8456-4b33-b65f-f05dbb1795dc/v14 |
| ef:activity/change/20260821T1554374006150000/285747 | properties | ef:agent/rdkit_post_consensus | ef:flow/4e7fce0f-8456-4b33-b65f-f05dbb1795dc/v14 | ef:flow/4e7fce0f-8456-4b33-b65f-f05dbb1795dc/v15 |
| ef:activity/change/20260821T1554374006150000/287171 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/4e7fce0f-8456-4b33-b65f-f05dbb1795dc/v15 | ef:flow/4e7fce0f-8456-4b33-b65f-f05dbb1795dc/v16 |
| ef:activity/change/20260821T1554374006150000/293079 | altLabel | ef:agent/dedupe_altlabels | ef:flow/4e7fce0f-8456-4b33-b65f-f05dbb1795dc/v16 | ef:flow/4e7fce0f-8456-4b33-b65f-f05dbb1795dc/v17 |
| ef:activity/change/20260821T1554374006150000/329286 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/4e7fce0f-8456-4b33-b65f-f05dbb1795dc/v17 | ef:flow/4e7fce0f-8456-4b33-b65f-f05dbb1795dc/v18 |
| ef:activity/change/20260821T1554374006150000/402211 | types | ef:agent/link_flows_to_their_substance | ef:flow/4e7fce0f-8456-4b33-b65f-f05dbb1795dc/v18 | ef:flow/4e7fce0f-8456-4b33-b65f-f05dbb1795dc/v19 |