4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium Chloride
Everything that changed this flow. Back to the flow
add40ac7-aaf2-44d0-816a-ba0cdda01075
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, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| cas_match_labels | 1 | consensus_match | group_key=4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-iumchloride||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'28783-41-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-72b45149f6af40e8: {'28783-41-7': '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 |
| 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 |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['28783-41-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[10332, 3085076, 10176342, 56843625]; selected_pubchem_cids=[10176342, 56843625]; 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
19| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 105 | bootstrap_labels | prefLabel | — | [{"@value":"4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium chloride","@language":"en","source":{"prov:wasGeneratedBy":"bo… | Bootstrapped prefLabel from legacy name field |
| 106 | bootstrap_labels | name | 4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium chloride | — | Purged legacy name field to enforce prefLabel usage |
| 107 | bootstrap_labels | synonyms | ["organic","4,5,6,7-tetrahydrothieno[3,2-c]pyridiniumchloride","thtp"] | [] | Removed legacy synonyms field in favor of structured labels |
| 153,265 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 153,266 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 213,370 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,120 | normalize_name_case | prefLabel | [{"@value":"4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium chloride","@language":"en","source":{"prov:wasGeneratedBy":"bo… | [{"@value":"4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium Chloride","@language":"en","source":{"prov:wasGeneratedBy":"bo… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 227,264 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H10ClNS"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=2) |
| 227,265 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 227,266 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.044.731","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['28783-41-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[10332, 3085076, 10176342, 56843625]; selected_pubchem_cids=[10176342, 56843625]; 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 |
| 248,338 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H10ClNS"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H10ClNS"… | rdkit_pre_consensus from 'C1CNCC2=C1SC=C2.Cl'; added: molecular_mass, monoisotopic_mass |
| 262,394 | consensus_match | altLabel | [] | [{"@value":"4,5,6,7-Tetrahydrothieno[3,2-<em>c</em>]pyridine hydrochloride","@language":"en","source":{"prov:wasGenerat… | group_key=4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-iumchloride||dimension=Environmental > media=Water > water_body=Surface water; cas=28783-41-7; added Common Chemistry CAS names as altLabel: 4,5,6,7-Tetrahydrothieno[3,2-<em>c</em>]pyridine hydrochloride, 4,5,6,7-Tetrahydrothieno[3,2-<em>c</em>]pyridine,hydrochloride, Thieno[3,2-<em>c</em>]pyridine, 4,5,6,7-tetrahydro-, hydrochloride, Thieno[3,2-<em>c</em>]pyridine, 4,5,6,7-tetrahydro-, hydrochloride (1:1); object_uuid=fo-72b45149f6af40e8 |
| 262,395 | consensus_match | cas_match_labels | — | {"28783-41-7":"exactMatch"} | group_key=4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-iumchloride||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'28783-41-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-72b45149f6af40e8: {'28783-41-7': 'exactMatch'} |
| 273,466 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H10ClNS"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H10ClNS"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium Chloride' |
| 279,819 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H10ClNS"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H10ClNS"… | rdkit_post_consensus from '[Cl-].c1cc2c(s1)CC[NH2+]C2'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,957 | dedupe_altlabels | altLabel | [{"@value":"4,5,6,7-Tetrahydrothieno[3,2-<em>c</em>]pyridine hydrochloride","@language":"en","source":{"prov:wasGenerat… | [{"@value":"4,5,6,7-Tetrahydrothieno[3,2-c]pyridine hydrochloride","@language":"en","source":{"prov:wasGeneratedBy":"co… | Deduplicated altLabel values and removed entries matching prefLabel |
| 357,686 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/add40ac7-aaf2-… | associations resolved on the elementary layer |
| 387,771 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H10ClNS"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H10ClNS"… | typed the way the ontology types it |
| 394,233 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | the substance's answer, copied onto its flow |
PROV-O trail
19 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/20260920T1042228874600000/105 | prefLabel | ef:agent/bootstrap_labels | ef:flow/add40ac7-aaf2-44d0-816a-ba0cdda01075/v0 | ef:flow/add40ac7-aaf2-44d0-816a-ba0cdda01075/v1 |
| ef:activity/change/20260920T1042228874600000/106 | name | ef:agent/bootstrap_labels | ef:flow/add40ac7-aaf2-44d0-816a-ba0cdda01075/v1 | ef:flow/add40ac7-aaf2-44d0-816a-ba0cdda01075/v2 |
| ef:activity/change/20260920T1042228874600000/107 | synonyms | ef:agent/bootstrap_labels | ef:flow/add40ac7-aaf2-44d0-816a-ba0cdda01075/v2 | ef:flow/add40ac7-aaf2-44d0-816a-ba0cdda01075/v3 |
| ef:activity/change/20260920T1042228874600000/153265 | context | ef:agent/default_context_mapping | ef:flow/add40ac7-aaf2-44d0-816a-ba0cdda01075/v3 | ef:flow/add40ac7-aaf2-44d0-816a-ba0cdda01075/v4 |
| ef:activity/change/20260920T1042228874600000/153266 | context_iri | ef:agent/default_context_mapping | ef:flow/add40ac7-aaf2-44d0-816a-ba0cdda01075/v4 | ef:flow/add40ac7-aaf2-44d0-816a-ba0cdda01075/v5 |
| ef:activity/change/20260920T1042228874600000/213370 | unit_iri | ef:agent/unit_normalization | ef:flow/add40ac7-aaf2-44d0-816a-ba0cdda01075/v5 | ef:flow/add40ac7-aaf2-44d0-816a-ba0cdda01075/v6 |
| ef:activity/change/20260920T1042228874600000/221120 | prefLabel | ef:agent/normalize_name_case | ef:flow/add40ac7-aaf2-44d0-816a-ba0cdda01075/v6 | ef:flow/add40ac7-aaf2-44d0-816a-ba0cdda01075/v7 |
| ef:activity/change/20260920T1042228874600000/227264 | properties | ef:agent/enrich_references | ef:flow/add40ac7-aaf2-44d0-816a-ba0cdda01075/v7 | ef:flow/add40ac7-aaf2-44d0-816a-ba0cdda01075/v8 |
| ef:activity/change/20260920T1042228874600000/227265 | skos_definition | ef:agent/enrich_references | ef:flow/add40ac7-aaf2-44d0-816a-ba0cdda01075/v8 | ef:flow/add40ac7-aaf2-44d0-816a-ba0cdda01075/v9 |
| ef:activity/change/20260920T1042228874600000/227266 | references | ef:agent/enrich_references | ef:flow/add40ac7-aaf2-44d0-816a-ba0cdda01075/v9 | ef:flow/add40ac7-aaf2-44d0-816a-ba0cdda01075/v10 |
| ef:activity/change/20260920T1042228874600000/248338 | properties | ef:agent/rdkit_pre_consensus | ef:flow/add40ac7-aaf2-44d0-816a-ba0cdda01075/v10 | ef:flow/add40ac7-aaf2-44d0-816a-ba0cdda01075/v11 |
| ef:activity/change/20260920T1042228874600000/262394 | altLabel | ef:agent/consensus_match | ef:flow/add40ac7-aaf2-44d0-816a-ba0cdda01075/v11 | ef:flow/add40ac7-aaf2-44d0-816a-ba0cdda01075/v12 |
| ef:activity/change/20260920T1042228874600000/262395 | cas_match_labels | ef:agent/consensus_match | ef:flow/add40ac7-aaf2-44d0-816a-ba0cdda01075/v12 | ef:flow/add40ac7-aaf2-44d0-816a-ba0cdda01075/v13 |
| ef:activity/change/20260920T1042228874600000/273466 | properties | ef:agent/opsin_iupac | ef:flow/add40ac7-aaf2-44d0-816a-ba0cdda01075/v13 | ef:flow/add40ac7-aaf2-44d0-816a-ba0cdda01075/v14 |
| ef:activity/change/20260920T1042228874600000/279819 | properties | ef:agent/rdkit_post_consensus | ef:flow/add40ac7-aaf2-44d0-816a-ba0cdda01075/v14 | ef:flow/add40ac7-aaf2-44d0-816a-ba0cdda01075/v15 |
| ef:activity/change/20260920T1042228874600000/291957 | altLabel | ef:agent/dedupe_altlabels | ef:flow/add40ac7-aaf2-44d0-816a-ba0cdda01075/v15 | ef:flow/add40ac7-aaf2-44d0-816a-ba0cdda01075/v16 |
| ef:activity/change/20260920T1042228874600000/357686 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/add40ac7-aaf2-44d0-816a-ba0cdda01075/v16 | ef:flow/add40ac7-aaf2-44d0-816a-ba0cdda01075/v17 |
| ef:activity/change/20260920T1042228874600000/387771 | properties | ef:agent/normalise_property_values | ef:flow/add40ac7-aaf2-44d0-816a-ba0cdda01075/v17 | ef:flow/add40ac7-aaf2-44d0-816a-ba0cdda01075/v18 |
| ef:activity/change/20260920T1042228874600000/394233 | types | ef:agent/link_flows_to_their_substance | ef:flow/add40ac7-aaf2-44d0-816a-ba0cdda01075/v18 | ef:flow/add40ac7-aaf2-44d0-816a-ba0cdda01075/v19 |