2,5,8,11-tetramethyldodec-6-yne-5,8-diol
Everything that changed this flow. Back to the flow
a714cdfd-a785-44ab-abca-12265eb357ce
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 7 catalogue altLabel value(s): 'DF 110' (grade code), 'DF 110D' (grade code), 'DF 80' (grade code), 'DF 80 (alkynediol)' (grade code), 'Surfadol 510' (trade name), 'Surfynol 110D' (trade name), 'Surfynol 124' (trade name) |
| cas_match_labels | 1 | consensus_match | group_key=2,5,8,11-tetramethyldodec-6-yne-5,8-diol||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'68227-33-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f9e43726610ee388: {'68227-33-8': '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=['68227-33-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[81214, 109234]; selected_pubchem_cids=[109234]; 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 |
|---|---|---|---|---|---|
| 2,471 | bootstrap_labels | prefLabel | — | [{"@value":"2,5,8,11-tetramethyldodec-6-yne-5,8-diol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_label… | Bootstrapped prefLabel from legacy name field |
| 2,472 | bootstrap_labels | name | 2,5,8,11-tetramethyldodec-6-yne-5,8-diol | — | Purged legacy name field to enforce prefLabel usage |
| 2,473 | bootstrap_labels | synonyms | ["organic","2,5,8,11-tetramethyldodec-6-yne-5,8-diol"] | [] | Removed legacy synonyms field in favor of structured labels |
| 149,140 | 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 |
| 149,141 | 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 |
| 214,163 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 229,556 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H30O2"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 229,557 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 229,558 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J317.437I","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['68227-33-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[81214, 109234]; selected_pubchem_cids=[109234]; 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 |
| 249,002 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H30O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H30O2"]… | rdkit_pre_consensus from 'CC(C)CCC(C)(C#CC(C)(CCC(C)C)O)O'; added: molecular_mass, monoisotopic_mass |
| 260,004 | consensus_match | altLabel | [] | [{"@value":"2,5,8,11-Tetramethyl-6-dodecyn-5,8-diol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match"… | group_key=2,5,8,11-tetramethyldodec-6-yne-5,8-diol||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=68227-33-8; added Common Chemistry CAS names as altLabel: 2,5,8,11-Tetramethyl-6-dodecyn-5,8-diol, 2,5,8,11-Tetramethyl-6-dodecyne-5,8-diol, 6-Dodecyne-5,8-diol, 2,5,8,11-tetramethyl-, DF 110, DF 110D, DF 80, DF 80 (alkynediol), Surfadol 510, Surfynol 110D, Surfynol 124, Surfynol 1DF110BC, Surfynol DF 110, Surfynol DF 110D, Tuyile FS 304; object_uuid=fo-f9e43726610ee388 |
| 260,005 | consensus_match | cas_match_labels | — | {"68227-33-8":"exactMatch"} | group_key=2,5,8,11-tetramethyldodec-6-yne-5,8-diol||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'68227-33-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f9e43726610ee388: {'68227-33-8': 'exactMatch'} |
| 274,122 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H30O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H30O2"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2,5,8,11-tetramethyldodec-6-yne-5,8-diol' |
| 280,538 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H30O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H30O2"]… | rdkit_post_consensus from 'CC(C)CCC(C)(O)C#CC(C)(O)CCC(C)C'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,739 | strip_catalogue_altlabels | altLabel | [{"@value":"2,5,8,11-Tetramethyl-6-dodecyn-5,8-diol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match"… | [{"@value":"2,5,8,11-Tetramethyl-6-dodecyn-5,8-diol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match"… | Removed 7 catalogue altLabel value(s): 'DF 110' (grade code), 'DF 110D' (grade code), 'DF 80' (grade code), 'DF 80 (alkynediol)' (grade code), 'Surfadol 510' (trade name), 'Surfynol 110D' (trade name), 'Surfynol 124' (trade name) |
| 355,592 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/a714cdfd-a785-… | associations resolved on the elementary layer |
| 388,415 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H30O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H30O2"]… | typed the way the ontology types it |
| 395,138 | 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/20260821T1302361922970000/2471 | prefLabel | ef:agent/bootstrap_labels | ef:flow/a714cdfd-a785-44ab-abca-12265eb357ce/v0 | ef:flow/a714cdfd-a785-44ab-abca-12265eb357ce/v1 |
| ef:activity/change/20260821T1302361922970000/2472 | name | ef:agent/bootstrap_labels | ef:flow/a714cdfd-a785-44ab-abca-12265eb357ce/v1 | ef:flow/a714cdfd-a785-44ab-abca-12265eb357ce/v2 |
| ef:activity/change/20260821T1302361922970000/2473 | synonyms | ef:agent/bootstrap_labels | ef:flow/a714cdfd-a785-44ab-abca-12265eb357ce/v2 | ef:flow/a714cdfd-a785-44ab-abca-12265eb357ce/v3 |
| ef:activity/change/20260821T1302361922970000/149140 | context | ef:agent/default_context_mapping | ef:flow/a714cdfd-a785-44ab-abca-12265eb357ce/v3 | ef:flow/a714cdfd-a785-44ab-abca-12265eb357ce/v4 |
| ef:activity/change/20260821T1302361922970000/149141 | context_iri | ef:agent/default_context_mapping | ef:flow/a714cdfd-a785-44ab-abca-12265eb357ce/v4 | ef:flow/a714cdfd-a785-44ab-abca-12265eb357ce/v5 |
| ef:activity/change/20260821T1302361922970000/214163 | unit_iri | ef:agent/unit_normalization | ef:flow/a714cdfd-a785-44ab-abca-12265eb357ce/v5 | ef:flow/a714cdfd-a785-44ab-abca-12265eb357ce/v6 |
| ef:activity/change/20260821T1302361922970000/229556 | properties | ef:agent/enrich_references | ef:flow/a714cdfd-a785-44ab-abca-12265eb357ce/v6 | ef:flow/a714cdfd-a785-44ab-abca-12265eb357ce/v7 |
| ef:activity/change/20260821T1302361922970000/229557 | skos_definition | ef:agent/enrich_references | ef:flow/a714cdfd-a785-44ab-abca-12265eb357ce/v7 | ef:flow/a714cdfd-a785-44ab-abca-12265eb357ce/v8 |
| ef:activity/change/20260821T1302361922970000/229558 | references | ef:agent/enrich_references | ef:flow/a714cdfd-a785-44ab-abca-12265eb357ce/v8 | ef:flow/a714cdfd-a785-44ab-abca-12265eb357ce/v9 |
| ef:activity/change/20260821T1302361922970000/249002 | properties | ef:agent/rdkit_pre_consensus | ef:flow/a714cdfd-a785-44ab-abca-12265eb357ce/v9 | ef:flow/a714cdfd-a785-44ab-abca-12265eb357ce/v10 |
| ef:activity/change/20260821T1302361922970000/260004 | altLabel | ef:agent/consensus_match | ef:flow/a714cdfd-a785-44ab-abca-12265eb357ce/v10 | ef:flow/a714cdfd-a785-44ab-abca-12265eb357ce/v11 |
| ef:activity/change/20260821T1302361922970000/260005 | cas_match_labels | ef:agent/consensus_match | ef:flow/a714cdfd-a785-44ab-abca-12265eb357ce/v11 | ef:flow/a714cdfd-a785-44ab-abca-12265eb357ce/v12 |
| ef:activity/change/20260821T1302361922970000/274122 | properties | ef:agent/opsin_iupac | ef:flow/a714cdfd-a785-44ab-abca-12265eb357ce/v12 | ef:flow/a714cdfd-a785-44ab-abca-12265eb357ce/v13 |
| ef:activity/change/20260821T1302361922970000/280538 | properties | ef:agent/rdkit_post_consensus | ef:flow/a714cdfd-a785-44ab-abca-12265eb357ce/v13 | ef:flow/a714cdfd-a785-44ab-abca-12265eb357ce/v14 |
| ef:activity/change/20260821T1302361922970000/287739 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/a714cdfd-a785-44ab-abca-12265eb357ce/v14 | ef:flow/a714cdfd-a785-44ab-abca-12265eb357ce/v15 |
| ef:activity/change/20260821T1302361922970000/355592 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/a714cdfd-a785-44ab-abca-12265eb357ce/v15 | ef:flow/a714cdfd-a785-44ab-abca-12265eb357ce/v16 |
| ef:activity/change/20260821T1302361922970000/388415 | properties | ef:agent/normalise_property_values | ef:flow/a714cdfd-a785-44ab-abca-12265eb357ce/v16 | ef:flow/a714cdfd-a785-44ab-abca-12265eb357ce/v17 |
| ef:activity/change/20260821T1302361922970000/395138 | types | ef:agent/link_flows_to_their_substance | ef:flow/a714cdfd-a785-44ab-abca-12265eb357ce/v17 | ef:flow/a714cdfd-a785-44ab-abca-12265eb357ce/v18 |