2-ethylhexyl 10-ethyl-4-({2-[(2-ethylhexyl)oxy]-2-oxoethyl}sulfanyl)-4-octyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecan-1-oate
Everything that changed this flow. Back to the flow
129dae06-bfa4-48fe-a4ab-bc04e32cdec4
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 4 | enrich_references, normalise_property_values, rdkit_post_consensus, rdkit_pre_consensus | typed the way the ontology types it |
| altLabel | 1 | consensus_match | group_key=2-ethylhexyl10-ethyl-4-({2-[(2-ethylhexyl)oxy]-2-oxoethyl}sulfanyl)-4-octyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecan-1-oate||dimension=Environmental > media=Water > water_body=Surface water; cas=27107-89-7; added Common Chemistry CAS names as altLabel: 8-Oxa-3,5-dithia-4-stannatetradecanoic acid, 10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-4-octyl-7-oxo-, 2-ethylhexyl ester, Acetic acid, [(octylstannylidyne)trithio]tri-, tris(2-ethylhexyl) ester, Mark 21MOK-A, Mono-n-octylltin tris(2-ethylhexylmercaptoacetate), Monooctylltin tris(2-ethylhexylmercaptoacetate), Monooctyltin tris(2-ethylhexyl mercaptoacetate), Monooctyltin tris(2-ethylhexyl thioglycolate), Octyltin tris(2-ethylhexylmercaptoacetate), Octyltin tris(2-ethylhexylthioglycolate), Tris(2-ethylhexyl) [(octylstannylidyne)trithio]triacetate; object_uuid=fo-f894c6745fb5d8a9 |
| cas_match_labels | 1 | consensus_match | group_key=2-ethylhexyl10-ethyl-4-({2-[(2-ethylhexyl)oxy]-2-oxoethyl}sulfanyl)-4-octyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecan-1-oate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'27107-89-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f894c6745fb5d8a9: {'27107-89-7': '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=['27107-89-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[93109, 90470706]; selected_pubchem_cids=[93109]; 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
16| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 429 | bootstrap_labels | prefLabel | — | [{"@value":"2-ethylhexyl 10-ethyl-4-({2-[(2-ethylhexyl)oxy]-2-oxoethyl}sulfanyl)-4-octyl-7-oxo-8-oxa-3,5-dithia-4-stann… | Bootstrapped prefLabel from legacy name field |
| 430 | bootstrap_labels | name | 2-ethylhexyl 10-ethyl-4-({2-[(2-ethylhexyl)oxy]-2-oxoethyl}sulfanyl)-4-octyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecan-… | — | Purged legacy name field to enforce prefLabel usage |
| 431 | bootstrap_labels | synonyms | ["organometallic","2-ethylhexyl10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-4-octyl-7-oxo-8-oxa-3,5-dithia-4-sta… | [] | Removed legacy synonyms field in favor of structured labels |
| 48,374 | 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) |
| 48,375 | 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) |
| 213,482 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 227,580 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C38H74O6S3… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 227,581 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 227,582 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.043.828","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['27107-89-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[93109, 90470706]; selected_pubchem_cids=[93109]; 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 |
| 248,432 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C38H74O6S3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C38H74O6S3… | rdkit_pre_consensus from 'CCCCCCCC[Sn](SCC(=O)OCC(CC)CCCC)(SCC(=O)OCC(CC)CCCC)SCC(=O)OCC(CC)CCCC'; added: molecular_mass, monoisotopic_mass |
| 260,834 | consensus_match | altLabel | [] | [{"@value":"8-Oxa-3,5-dithia-4-stannatetradecanoic acid, 10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-4-octyl-7-… | group_key=2-ethylhexyl10-ethyl-4-({2-[(2-ethylhexyl)oxy]-2-oxoethyl}sulfanyl)-4-octyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecan-1-oate||dimension=Environmental > media=Water > water_body=Surface water; cas=27107-89-7; added Common Chemistry CAS names as altLabel: 8-Oxa-3,5-dithia-4-stannatetradecanoic acid, 10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-4-octyl-7-oxo-, 2-ethylhexyl ester, Acetic acid, [(octylstannylidyne)trithio]tri-, tris(2-ethylhexyl) ester, Mark 21MOK-A, Mono-n-octylltin tris(2-ethylhexylmercaptoacetate), Monooctylltin tris(2-ethylhexylmercaptoacetate), Monooctyltin tris(2-ethylhexyl mercaptoacetate), Monooctyltin tris(2-ethylhexyl thioglycolate), Octyltin tris(2-ethylhexylmercaptoacetate), Octyltin tris(2-ethylhexylthioglycolate), Tris(2-ethylhexyl) [(octylstannylidyne)trithio]triacetate; object_uuid=fo-f894c6745fb5d8a9 |
| 260,835 | consensus_match | cas_match_labels | — | {"27107-89-7":"exactMatch"} | group_key=2-ethylhexyl10-ethyl-4-({2-[(2-ethylhexyl)oxy]-2-oxoethyl}sulfanyl)-4-octyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecan-1-oate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'27107-89-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f894c6745fb5d8a9: {'27107-89-7': 'exactMatch'} |
| 279,931 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C38H74O6S3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C38H74O6S3… | rdkit_post_consensus from 'CCCCCCCC[Sn](SCC(=O)OCC(CC)CCCC)(SCC(=O)OCC(CC)CCCC)SCC(=O)OCC(CC)CCCC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 305,234 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/129dae06-bfa4-… | associations resolved on the elementary layer |
| 387,850 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C38H74O6S3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C38H74O6S3… | typed the way the ontology types it |
| 394,356 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
16 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/20260820T0738569779880000/429 | prefLabel | ef:agent/bootstrap_labels | ef:flow/129dae06-bfa4-48fe-a4ab-bc04e32cdec4/v0 | ef:flow/129dae06-bfa4-48fe-a4ab-bc04e32cdec4/v1 |
| ef:activity/change/20260820T0738569779880000/430 | name | ef:agent/bootstrap_labels | ef:flow/129dae06-bfa4-48fe-a4ab-bc04e32cdec4/v1 | ef:flow/129dae06-bfa4-48fe-a4ab-bc04e32cdec4/v2 |
| ef:activity/change/20260820T0738569779880000/431 | synonyms | ef:agent/bootstrap_labels | ef:flow/129dae06-bfa4-48fe-a4ab-bc04e32cdec4/v2 | ef:flow/129dae06-bfa4-48fe-a4ab-bc04e32cdec4/v3 |
| ef:activity/change/20260820T0738569779880000/48374 | context | ef:agent/default_context_mapping | ef:flow/129dae06-bfa4-48fe-a4ab-bc04e32cdec4/v3 | ef:flow/129dae06-bfa4-48fe-a4ab-bc04e32cdec4/v4 |
| ef:activity/change/20260820T0738569779880000/48375 | context_iri | ef:agent/default_context_mapping | ef:flow/129dae06-bfa4-48fe-a4ab-bc04e32cdec4/v4 | ef:flow/129dae06-bfa4-48fe-a4ab-bc04e32cdec4/v5 |
| ef:activity/change/20260820T0738569779880000/213482 | unit_iri | ef:agent/unit_normalization | ef:flow/129dae06-bfa4-48fe-a4ab-bc04e32cdec4/v5 | ef:flow/129dae06-bfa4-48fe-a4ab-bc04e32cdec4/v6 |
| ef:activity/change/20260820T0738569779880000/227580 | properties | ef:agent/enrich_references | ef:flow/129dae06-bfa4-48fe-a4ab-bc04e32cdec4/v6 | ef:flow/129dae06-bfa4-48fe-a4ab-bc04e32cdec4/v7 |
| ef:activity/change/20260820T0738569779880000/227581 | skos_definition | ef:agent/enrich_references | ef:flow/129dae06-bfa4-48fe-a4ab-bc04e32cdec4/v7 | ef:flow/129dae06-bfa4-48fe-a4ab-bc04e32cdec4/v8 |
| ef:activity/change/20260820T0738569779880000/227582 | references | ef:agent/enrich_references | ef:flow/129dae06-bfa4-48fe-a4ab-bc04e32cdec4/v8 | ef:flow/129dae06-bfa4-48fe-a4ab-bc04e32cdec4/v9 |
| ef:activity/change/20260820T0738569779880000/248432 | properties | ef:agent/rdkit_pre_consensus | ef:flow/129dae06-bfa4-48fe-a4ab-bc04e32cdec4/v9 | ef:flow/129dae06-bfa4-48fe-a4ab-bc04e32cdec4/v10 |
| ef:activity/change/20260820T0738569779880000/260834 | altLabel | ef:agent/consensus_match | ef:flow/129dae06-bfa4-48fe-a4ab-bc04e32cdec4/v10 | ef:flow/129dae06-bfa4-48fe-a4ab-bc04e32cdec4/v11 |
| ef:activity/change/20260820T0738569779880000/260835 | cas_match_labels | ef:agent/consensus_match | ef:flow/129dae06-bfa4-48fe-a4ab-bc04e32cdec4/v11 | ef:flow/129dae06-bfa4-48fe-a4ab-bc04e32cdec4/v12 |
| ef:activity/change/20260820T0738569779880000/279931 | properties | ef:agent/rdkit_post_consensus | ef:flow/129dae06-bfa4-48fe-a4ab-bc04e32cdec4/v12 | ef:flow/129dae06-bfa4-48fe-a4ab-bc04e32cdec4/v13 |
| ef:activity/change/20260820T0738569779880000/305234 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/129dae06-bfa4-48fe-a4ab-bc04e32cdec4/v13 | ef:flow/129dae06-bfa4-48fe-a4ab-bc04e32cdec4/v14 |
| ef:activity/change/20260820T0738569779880000/387850 | properties | ef:agent/normalise_property_values | ef:flow/129dae06-bfa4-48fe-a4ab-bc04e32cdec4/v14 | ef:flow/129dae06-bfa4-48fe-a4ab-bc04e32cdec4/v15 |
| ef:activity/change/20260820T0738569779880000/394356 | types | ef:agent/link_flows_to_their_substance | ef:flow/129dae06-bfa4-48fe-a4ab-bc04e32cdec4/v15 | ef:flow/129dae06-bfa4-48fe-a4ab-bc04e32cdec4/v16 |