2,2-dioctyl-1,3,2-oxathiastannolan-5-one
Everything that changed this flow. Back to the flow
0e1bd255-77bb-40df-8c55-b97910a19fcc
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 | 2 | consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 65517' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=2,2-dioctyl-1,3,2-oxathiastannolan-5-one||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'15535-79-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6de532b64ed7cd75: {'15535-79-2': '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 fresh water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh 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=['15535-79-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[16682773, 102059961]; selected_pubchem_cids=[16682773, 102059961]; 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
17| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 9,714 | bootstrap_labels | prefLabel | — | [{"@value":"2,2-dioctyl-1,3,2-oxathiastannolan-5-one","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_label… | Bootstrapped prefLabel from legacy name field |
| 9,715 | bootstrap_labels | name | 2,2-dioctyl-1,3,2-oxathiastannolan-5-one | — | Purged legacy name field to enforce prefLabel usage |
| 9,716 | bootstrap_labels | synonyms | ["organometallic","2,2-dioctyl-1,3,2-oxathiastannolan-5-one"] | [] | Removed legacy synonyms field in favor of structured labels |
| 45,708 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Surface water"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 45,709 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-suwa | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 216,567 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 236,462 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H36O2SS… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=2) |
| 236,463 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 236,464 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J34.626H","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['15535-79-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[16682773, 102059961]; selected_pubchem_cids=[16682773, 102059961]; 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 |
| 250,985 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H36O2SS… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H36O2SS… | rdkit_pre_consensus from 'CCCCCCCC[Sn]1(OC(=O)CS1)CCCCCCCC'; added: molecular_mass, monoisotopic_mass |
| 259,680 | consensus_match | altLabel | [] | [{"@value":"1,3,2-Oxathiastannolan-5-one, 2,2-dioctyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_mat… | group_key=2,2-dioctyl-1,3,2-oxathiastannolan-5-one||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); cas=15535-79-2; added Common Chemistry CAS names as altLabel: 1,3,2-Oxathiastannolan-5-one, 2,2-dioctyl-, Dioctyltin <em>S</em>,<em>O</em>-mercaptoacetate, Dioctyltin mercaptoacetate, Dioctyltin thioglycolate, NSC 65517; object_uuid=fo-6de532b64ed7cd75 |
| 259,681 | consensus_match | cas_match_labels | — | {"15535-79-2":"exactMatch"} | group_key=2,2-dioctyl-1,3,2-oxathiastannolan-5-one||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'15535-79-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6de532b64ed7cd75: {'15535-79-2': 'exactMatch'} |
| 282,747 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H36O2SS… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H36O2SS… | rdkit_post_consensus from 'CCCCCCCC[Sn]1(OC(=O)CS1)CCCCCCCC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,281 | strip_catalogue_altlabels | altLabel | [{"@value":"1,3,2-Oxathiastannolan-5-one, 2,2-dioctyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_mat… | [{"@value":"1,3,2-Oxathiastannolan-5-one, 2,2-dioctyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_mat… | Removed 1 catalogue altLabel value(s): 'NSC 65517' (registry code) |
| 303,873 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/0e1bd255-77bb-… | associations resolved on the elementary layer |
| 390,507 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H36O2SS… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H36O2SS… | typed the way the ontology types it |
| 398,147 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
17 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/20260821T0609040591070000/9714 | prefLabel | ef:agent/bootstrap_labels | ef:flow/0e1bd255-77bb-40df-8c55-b97910a19fcc/v0 | ef:flow/0e1bd255-77bb-40df-8c55-b97910a19fcc/v1 |
| ef:activity/change/20260821T0609040591070000/9715 | name | ef:agent/bootstrap_labels | ef:flow/0e1bd255-77bb-40df-8c55-b97910a19fcc/v1 | ef:flow/0e1bd255-77bb-40df-8c55-b97910a19fcc/v2 |
| ef:activity/change/20260821T0609040591070000/9716 | synonyms | ef:agent/bootstrap_labels | ef:flow/0e1bd255-77bb-40df-8c55-b97910a19fcc/v2 | ef:flow/0e1bd255-77bb-40df-8c55-b97910a19fcc/v3 |
| ef:activity/change/20260821T0609040591070000/45708 | context | ef:agent/default_context_mapping | ef:flow/0e1bd255-77bb-40df-8c55-b97910a19fcc/v3 | ef:flow/0e1bd255-77bb-40df-8c55-b97910a19fcc/v4 |
| ef:activity/change/20260821T0609040591070000/45709 | context_iri | ef:agent/default_context_mapping | ef:flow/0e1bd255-77bb-40df-8c55-b97910a19fcc/v4 | ef:flow/0e1bd255-77bb-40df-8c55-b97910a19fcc/v5 |
| ef:activity/change/20260821T0609040591070000/216567 | unit_iri | ef:agent/unit_normalization | ef:flow/0e1bd255-77bb-40df-8c55-b97910a19fcc/v5 | ef:flow/0e1bd255-77bb-40df-8c55-b97910a19fcc/v6 |
| ef:activity/change/20260821T0609040591070000/236462 | properties | ef:agent/enrich_references | ef:flow/0e1bd255-77bb-40df-8c55-b97910a19fcc/v6 | ef:flow/0e1bd255-77bb-40df-8c55-b97910a19fcc/v7 |
| ef:activity/change/20260821T0609040591070000/236463 | skos_definition | ef:agent/enrich_references | ef:flow/0e1bd255-77bb-40df-8c55-b97910a19fcc/v7 | ef:flow/0e1bd255-77bb-40df-8c55-b97910a19fcc/v8 |
| ef:activity/change/20260821T0609040591070000/236464 | references | ef:agent/enrich_references | ef:flow/0e1bd255-77bb-40df-8c55-b97910a19fcc/v8 | ef:flow/0e1bd255-77bb-40df-8c55-b97910a19fcc/v9 |
| ef:activity/change/20260821T0609040591070000/250985 | properties | ef:agent/rdkit_pre_consensus | ef:flow/0e1bd255-77bb-40df-8c55-b97910a19fcc/v9 | ef:flow/0e1bd255-77bb-40df-8c55-b97910a19fcc/v10 |
| ef:activity/change/20260821T0609040591070000/259680 | altLabel | ef:agent/consensus_match | ef:flow/0e1bd255-77bb-40df-8c55-b97910a19fcc/v10 | ef:flow/0e1bd255-77bb-40df-8c55-b97910a19fcc/v11 |
| ef:activity/change/20260821T0609040591070000/259681 | cas_match_labels | ef:agent/consensus_match | ef:flow/0e1bd255-77bb-40df-8c55-b97910a19fcc/v11 | ef:flow/0e1bd255-77bb-40df-8c55-b97910a19fcc/v12 |
| ef:activity/change/20260821T0609040591070000/282747 | properties | ef:agent/rdkit_post_consensus | ef:flow/0e1bd255-77bb-40df-8c55-b97910a19fcc/v12 | ef:flow/0e1bd255-77bb-40df-8c55-b97910a19fcc/v13 |
| ef:activity/change/20260821T0609040591070000/289281 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/0e1bd255-77bb-40df-8c55-b97910a19fcc/v13 | ef:flow/0e1bd255-77bb-40df-8c55-b97910a19fcc/v14 |
| ef:activity/change/20260821T0609040591070000/303873 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/0e1bd255-77bb-40df-8c55-b97910a19fcc/v14 | ef:flow/0e1bd255-77bb-40df-8c55-b97910a19fcc/v15 |
| ef:activity/change/20260821T0609040591070000/390507 | properties | ef:agent/normalise_property_values | ef:flow/0e1bd255-77bb-40df-8c55-b97910a19fcc/v15 | ef:flow/0e1bd255-77bb-40df-8c55-b97910a19fcc/v16 |
| ef:activity/change/20260821T0609040591070000/398147 | types | ef:agent/link_flows_to_their_substance | ef:flow/0e1bd255-77bb-40df-8c55-b97910a19fcc/v16 | ef:flow/0e1bd255-77bb-40df-8c55-b97910a19fcc/v17 |