2-ethylhexyl 10-ethyl-4,4-dimethyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecan-1-oate
Everything that changed this flow. Back to the flow
c652c38c-a47d-4d39-8371-64f8cf6e2a5b
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | typed the way the ontology types it |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 10 catalogue altLabel value(s): 'AT 1500' (grade code), 'DL 181' (grade code), 'DX 181' (grade code), 'DX 980' (grade code), 'DX 990' (grade code), 'MT 181' (grade code), 'NX 128' (grade code), 'SC 688' (grade code), 'SW 988' (grade code), 'UL 54' (grade code) |
| cas_match_labels | 1 | consensus_match | group_key=2-ethylhexyl10-ethyl-4,4-dimethyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecan-1-oate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'57583-35-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f680c798a94c16cd: {'57583-35-4': '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 non-urban air or from high stacks |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 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=['57583-35-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[9576130, 22497745, 101533630, 121513922]; selected_pubchem_cids=[9576130]; 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
18| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 2,843 | bootstrap_labels | prefLabel | — | [{"@value":"2-ethylhexyl 10-ethyl-4,4-dimethyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecan-1-oate","@language":"en","sour… | Bootstrapped prefLabel from legacy name field |
| 2,844 | bootstrap_labels | name | 2-ethylhexyl 10-ethyl-4,4-dimethyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecan-1-oate | — | Purged legacy name field to enforce prefLabel usage |
| 2,845 | bootstrap_labels | synonyms | ["organometallic","2-ethylhexyl10-ethyl-4,4-dimethyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecanoate","8-oxa-3,5-dithia-4… | [] | Removed legacy synonyms field in favor of structured labels |
| 167,216 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Medium stack, <150 meters","population_density":"Rural (<1000 peop… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 167,217 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-mest15me-ru10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 214,287 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 229,913 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H44O4S2… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 229,914 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 229,915 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.055.281","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['57583-35-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[9576130, 22497745, 101533630, 121513922]; selected_pubchem_cids=[9576130]; 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 |
| 249,104 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H44O4S2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H44O4S2… | rdkit_pre_consensus from 'CCCCC(CC)COC(=O)CS[Sn](C)(C)SCC(=O)OCC(CC)CCCC'; added: molecular_mass, monoisotopic_mass |
| 260,814 | consensus_match | altLabel | [] | [{"@value":"2-Ethylhexyl 10-ethyl-4,4-dimethyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecanoate","@language":"en","source"… | group_key=2-ethylhexyl10-ethyl-4,4-dimethyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecan-1-oate||dimension=Environmental > media=Ground > geography=Unknown; cas=57583-35-4; added Common Chemistry CAS names as altLabel: 2-Ethylhexyl 10-ethyl-4,4-dimethyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecanoate, 8-Oxa-3,5-dithia-4-stannatetradecanoic acid, 10-ethyl-4,4-dimethyl-7-oxo-, 2-ethylhexyl ester, AT 1500, DL 181, DMTTG, DX 181, DX 960-3, DX 980, DX 990, Dimethyltin bis(2-ethylhexyl mercaptoacetate), Dimethyltin bis(2-ethylhexyl thioglycolate), Fomrez UL 54, MT 181, Methyltin mercaptide, NX 128, SC 688, SW 988, TM 504ER, TM 604ER, UL 54; object_uuid=fo-f680c798a94c16cd |
| 260,815 | consensus_match | cas_match_labels | — | {"57583-35-4":"exactMatch"} | group_key=2-ethylhexyl10-ethyl-4,4-dimethyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecan-1-oate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'57583-35-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f680c798a94c16cd: {'57583-35-4': 'exactMatch'} |
| 274,223 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H44O4S2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H44O4S2… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-ethylhexyl 10-ethyl-4,4-dimethyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecan-1-oate' |
| 280,648 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H44O4S2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H44O4S2… | rdkit_post_consensus from 'CCCCC(CC)COC(=O)C[S][Sn]([CH3])([CH3])[S]CC(=O)OCC(CC)CCCC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,817 | strip_catalogue_altlabels | altLabel | [{"@value":"2-Ethylhexyl 10-ethyl-4,4-dimethyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecanoate","@language":"en","source"… | [{"@value":"2-Ethylhexyl 10-ethyl-4,4-dimethyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecanoate","@language":"en","source"… | Removed 10 catalogue altLabel value(s): 'AT 1500' (grade code), 'DL 181' (grade code), 'DX 181' (grade code), 'DX 980' (grade code), 'DX 990' (grade code), 'MT 181' (grade code), 'NX 128' (grade code), 'SC 688' (grade code), 'SW 988' (grade code), 'UL 54' (grade code) |
| 364,634 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/c652c38c-a47d-… | associations resolved on the elementary layer |
| 388,518 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H44O4S2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H44O4S2… | typed the way the ontology types it |
| 395,282 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
18 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/20260821T1302361922970000/2843 | prefLabel | ef:agent/bootstrap_labels | ef:flow/c652c38c-a47d-4d39-8371-64f8cf6e2a5b/v0 | ef:flow/c652c38c-a47d-4d39-8371-64f8cf6e2a5b/v1 |
| ef:activity/change/20260821T1302361922970000/2844 | name | ef:agent/bootstrap_labels | ef:flow/c652c38c-a47d-4d39-8371-64f8cf6e2a5b/v1 | ef:flow/c652c38c-a47d-4d39-8371-64f8cf6e2a5b/v2 |
| ef:activity/change/20260821T1302361922970000/2845 | synonyms | ef:agent/bootstrap_labels | ef:flow/c652c38c-a47d-4d39-8371-64f8cf6e2a5b/v2 | ef:flow/c652c38c-a47d-4d39-8371-64f8cf6e2a5b/v3 |
| ef:activity/change/20260821T1302361922970000/167216 | context | ef:agent/default_context_mapping | ef:flow/c652c38c-a47d-4d39-8371-64f8cf6e2a5b/v3 | ef:flow/c652c38c-a47d-4d39-8371-64f8cf6e2a5b/v4 |
| ef:activity/change/20260821T1302361922970000/167217 | context_iri | ef:agent/default_context_mapping | ef:flow/c652c38c-a47d-4d39-8371-64f8cf6e2a5b/v4 | ef:flow/c652c38c-a47d-4d39-8371-64f8cf6e2a5b/v5 |
| ef:activity/change/20260821T1302361922970000/214287 | unit_iri | ef:agent/unit_normalization | ef:flow/c652c38c-a47d-4d39-8371-64f8cf6e2a5b/v5 | ef:flow/c652c38c-a47d-4d39-8371-64f8cf6e2a5b/v6 |
| ef:activity/change/20260821T1302361922970000/229913 | properties | ef:agent/enrich_references | ef:flow/c652c38c-a47d-4d39-8371-64f8cf6e2a5b/v6 | ef:flow/c652c38c-a47d-4d39-8371-64f8cf6e2a5b/v7 |
| ef:activity/change/20260821T1302361922970000/229914 | skos_definition | ef:agent/enrich_references | ef:flow/c652c38c-a47d-4d39-8371-64f8cf6e2a5b/v7 | ef:flow/c652c38c-a47d-4d39-8371-64f8cf6e2a5b/v8 |
| ef:activity/change/20260821T1302361922970000/229915 | references | ef:agent/enrich_references | ef:flow/c652c38c-a47d-4d39-8371-64f8cf6e2a5b/v8 | ef:flow/c652c38c-a47d-4d39-8371-64f8cf6e2a5b/v9 |
| ef:activity/change/20260821T1302361922970000/249104 | properties | ef:agent/rdkit_pre_consensus | ef:flow/c652c38c-a47d-4d39-8371-64f8cf6e2a5b/v9 | ef:flow/c652c38c-a47d-4d39-8371-64f8cf6e2a5b/v10 |
| ef:activity/change/20260821T1302361922970000/260814 | altLabel | ef:agent/consensus_match | ef:flow/c652c38c-a47d-4d39-8371-64f8cf6e2a5b/v10 | ef:flow/c652c38c-a47d-4d39-8371-64f8cf6e2a5b/v11 |
| ef:activity/change/20260821T1302361922970000/260815 | cas_match_labels | ef:agent/consensus_match | ef:flow/c652c38c-a47d-4d39-8371-64f8cf6e2a5b/v11 | ef:flow/c652c38c-a47d-4d39-8371-64f8cf6e2a5b/v12 |
| ef:activity/change/20260821T1302361922970000/274223 | properties | ef:agent/opsin_iupac | ef:flow/c652c38c-a47d-4d39-8371-64f8cf6e2a5b/v12 | ef:flow/c652c38c-a47d-4d39-8371-64f8cf6e2a5b/v13 |
| ef:activity/change/20260821T1302361922970000/280648 | properties | ef:agent/rdkit_post_consensus | ef:flow/c652c38c-a47d-4d39-8371-64f8cf6e2a5b/v13 | ef:flow/c652c38c-a47d-4d39-8371-64f8cf6e2a5b/v14 |
| ef:activity/change/20260821T1302361922970000/287817 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/c652c38c-a47d-4d39-8371-64f8cf6e2a5b/v14 | ef:flow/c652c38c-a47d-4d39-8371-64f8cf6e2a5b/v15 |
| ef:activity/change/20260821T1302361922970000/364634 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/c652c38c-a47d-4d39-8371-64f8cf6e2a5b/v15 | ef:flow/c652c38c-a47d-4d39-8371-64f8cf6e2a5b/v16 |
| ef:activity/change/20260821T1302361922970000/388518 | properties | ef:agent/normalise_property_values | ef:flow/c652c38c-a47d-4d39-8371-64f8cf6e2a5b/v16 | ef:flow/c652c38c-a47d-4d39-8371-64f8cf6e2a5b/v17 |
| ef:activity/change/20260821T1302361922970000/395282 | types | ef:agent/link_flows_to_their_substance | ef:flow/c652c38c-a47d-4d39-8371-64f8cf6e2a5b/v17 | ef:flow/c652c38c-a47d-4d39-8371-64f8cf6e2a5b/v18 |