2-ethylhexyl 10-ethyl-4-({2-[(2-ethylhexyl)oxy]-2-oxoethyl}sulfanyl)-4-methyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecan-1-oate
Everything that changed this flow. Back to the flow
874cb0c4-2228-448a-9e96-9f937e7c22b5
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-methyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecan-1-oate||dimension=Environmental > media=Ground > geography=Non-agricultural; cas=57583-34-3; added Common Chemistry CAS names as altLabel: 2-Ethylhexyl 10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-4-methyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecanoate, 8-Oxa-3,5-dithia-4-stannatetradecanoic acid, 10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-4-methyl-7-oxo-, 2-ethylhexyl ester, Methyltin tris(2-ethylhexyl mercaptoacetate), Methyltin tris(2-ethylhexyl thioglycolate), Monomethyltin tris(2-ethylhexyl mercaptoacetate); object_uuid=fo-2ebf3bb6c99f1232 |
| cas_match_labels | 1 | consensus_match | group_key=2-ethylhexyl10-ethyl-4-({2-[(2-ethylhexyl)oxy]-2-oxoethyl}sulfanyl)-4-methyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecan-1-oate||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'57583-34-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2ebf3bb6c99f1232: {'57583-34-3': '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 sea water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 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=['57583-34-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[94580, 467252, 9576130, 71306911]; selected_pubchem_cids=[94580]; 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 |
|---|---|---|---|---|---|
| 6,458 | bootstrap_labels | prefLabel | — | [{"@value":"2-ethylhexyl 10-ethyl-4-({2-[(2-ethylhexyl)oxy]-2-oxoethyl}sulfanyl)-4-methyl-7-oxo-8-oxa-3,5-dithia-4-stan… | Bootstrapped prefLabel from legacy name field |
| 6,459 | bootstrap_labels | name | 2-ethylhexyl 10-ethyl-4-({2-[(2-ethylhexyl)oxy]-2-oxoethyl}sulfanyl)-4-methyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecan… | — | Purged legacy name field to enforce prefLabel usage |
| 6,460 | bootstrap_labels | synonyms | ["organometallic","2-ethylhexyl10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-4-methyl-7-oxo-8-oxa-3,5-dithia-4-st… | [] | Removed legacy synonyms field in favor of structured labels |
| 130,214 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Ocean"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 130,215 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-ocea | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 215,496 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 233,383 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C31H60O6S3… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 233,384 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 233,385 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.055.280","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['57583-34-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[94580, 467252, 9576130, 71306911]; selected_pubchem_cids=[94580]; 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 |
| 250,103 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C31H60O6S3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C31H60O6S3… | rdkit_pre_consensus from 'CCCCC(CC)COC(=O)CS[Sn](C)(SCC(=O)OCC(CC)CCCC)SCC(=O)OCC(CC)CCCC'; added: molecular_mass, monoisotopic_mass |
| 260,816 | consensus_match | altLabel | [] | [{"@value":"2-Ethylhexyl 10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-4-methyl-7-oxo-8-oxa-3,5-dithia-4-stannate… | group_key=2-ethylhexyl10-ethyl-4-({2-[(2-ethylhexyl)oxy]-2-oxoethyl}sulfanyl)-4-methyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecan-1-oate||dimension=Environmental > media=Ground > geography=Non-agricultural; cas=57583-34-3; added Common Chemistry CAS names as altLabel: 2-Ethylhexyl 10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-4-methyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecanoate, 8-Oxa-3,5-dithia-4-stannatetradecanoic acid, 10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-4-methyl-7-oxo-, 2-ethylhexyl ester, Methyltin tris(2-ethylhexyl mercaptoacetate), Methyltin tris(2-ethylhexyl thioglycolate), Monomethyltin tris(2-ethylhexyl mercaptoacetate); object_uuid=fo-2ebf3bb6c99f1232 |
| 260,817 | consensus_match | cas_match_labels | — | {"57583-34-3":"exactMatch"} | group_key=2-ethylhexyl10-ethyl-4-({2-[(2-ethylhexyl)oxy]-2-oxoethyl}sulfanyl)-4-methyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecan-1-oate||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'57583-34-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2ebf3bb6c99f1232: {'57583-34-3': 'exactMatch'} |
| 281,745 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C31H60O6S3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C31H60O6S3… | rdkit_post_consensus from 'CCCCC(CC)COC(=O)CS[Sn](C)(SCC(=O)OCC(CC)CCCC)SCC(=O)OCC(CC)CCCC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 346,107 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/874cb0c4-2228-… | associations resolved on the elementary layer |
| 389,544 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C31H60O6S3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C31H60O6S3… | typed the way the ontology types it |
| 396,743 | 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/20260821T1302361922970000/6458 | prefLabel | ef:agent/bootstrap_labels | ef:flow/874cb0c4-2228-448a-9e96-9f937e7c22b5/v0 | ef:flow/874cb0c4-2228-448a-9e96-9f937e7c22b5/v1 |
| ef:activity/change/20260821T1302361922970000/6459 | name | ef:agent/bootstrap_labels | ef:flow/874cb0c4-2228-448a-9e96-9f937e7c22b5/v1 | ef:flow/874cb0c4-2228-448a-9e96-9f937e7c22b5/v2 |
| ef:activity/change/20260821T1302361922970000/6460 | synonyms | ef:agent/bootstrap_labels | ef:flow/874cb0c4-2228-448a-9e96-9f937e7c22b5/v2 | ef:flow/874cb0c4-2228-448a-9e96-9f937e7c22b5/v3 |
| ef:activity/change/20260821T1302361922970000/130214 | context | ef:agent/default_context_mapping | ef:flow/874cb0c4-2228-448a-9e96-9f937e7c22b5/v3 | ef:flow/874cb0c4-2228-448a-9e96-9f937e7c22b5/v4 |
| ef:activity/change/20260821T1302361922970000/130215 | context_iri | ef:agent/default_context_mapping | ef:flow/874cb0c4-2228-448a-9e96-9f937e7c22b5/v4 | ef:flow/874cb0c4-2228-448a-9e96-9f937e7c22b5/v5 |
| ef:activity/change/20260821T1302361922970000/215496 | unit_iri | ef:agent/unit_normalization | ef:flow/874cb0c4-2228-448a-9e96-9f937e7c22b5/v5 | ef:flow/874cb0c4-2228-448a-9e96-9f937e7c22b5/v6 |
| ef:activity/change/20260821T1302361922970000/233383 | properties | ef:agent/enrich_references | ef:flow/874cb0c4-2228-448a-9e96-9f937e7c22b5/v6 | ef:flow/874cb0c4-2228-448a-9e96-9f937e7c22b5/v7 |
| ef:activity/change/20260821T1302361922970000/233384 | skos_definition | ef:agent/enrich_references | ef:flow/874cb0c4-2228-448a-9e96-9f937e7c22b5/v7 | ef:flow/874cb0c4-2228-448a-9e96-9f937e7c22b5/v8 |
| ef:activity/change/20260821T1302361922970000/233385 | references | ef:agent/enrich_references | ef:flow/874cb0c4-2228-448a-9e96-9f937e7c22b5/v8 | ef:flow/874cb0c4-2228-448a-9e96-9f937e7c22b5/v9 |
| ef:activity/change/20260821T1302361922970000/250103 | properties | ef:agent/rdkit_pre_consensus | ef:flow/874cb0c4-2228-448a-9e96-9f937e7c22b5/v9 | ef:flow/874cb0c4-2228-448a-9e96-9f937e7c22b5/v10 |
| ef:activity/change/20260821T1302361922970000/260816 | altLabel | ef:agent/consensus_match | ef:flow/874cb0c4-2228-448a-9e96-9f937e7c22b5/v10 | ef:flow/874cb0c4-2228-448a-9e96-9f937e7c22b5/v11 |
| ef:activity/change/20260821T1302361922970000/260817 | cas_match_labels | ef:agent/consensus_match | ef:flow/874cb0c4-2228-448a-9e96-9f937e7c22b5/v11 | ef:flow/874cb0c4-2228-448a-9e96-9f937e7c22b5/v12 |
| ef:activity/change/20260821T1302361922970000/281745 | properties | ef:agent/rdkit_post_consensus | ef:flow/874cb0c4-2228-448a-9e96-9f937e7c22b5/v12 | ef:flow/874cb0c4-2228-448a-9e96-9f937e7c22b5/v13 |
| ef:activity/change/20260821T1302361922970000/346107 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/874cb0c4-2228-448a-9e96-9f937e7c22b5/v13 | ef:flow/874cb0c4-2228-448a-9e96-9f937e7c22b5/v14 |
| ef:activity/change/20260821T1302361922970000/389544 | properties | ef:agent/normalise_property_values | ef:flow/874cb0c4-2228-448a-9e96-9f937e7c22b5/v14 | ef:flow/874cb0c4-2228-448a-9e96-9f937e7c22b5/v15 |
| ef:activity/change/20260821T1302361922970000/396743 | types | ef:agent/link_flows_to_their_substance | ef:flow/874cb0c4-2228-448a-9e96-9f937e7c22b5/v15 | ef:flow/874cb0c4-2228-448a-9e96-9f937e7c22b5/v16 |