Fumaroyl Chloride
Everything that changed this flow. Back to the flow
838264d3-80ba-415b-a255-82ad15e7f7f1
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 6 | enrich_references, link_flows_to_their_substance, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | the substance's answer, copied onto its flow |
| 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=fumaroylchloride||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'627-63-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c1f82b0189630d65: {'627-63-4': '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 soil > Emissions to agricultural soil |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['627-63-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[12324, 5325504]; selected_pubchem_cids=[5325504]; 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
20| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 212 | bootstrap_labels | prefLabel | — | [{"@value":"fumaroyl chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedT… | Bootstrapped prefLabel from legacy name field |
| 213 | bootstrap_labels | name | fumaroyl chloride | — | Purged legacy name field to enforce prefLabel usage |
| 214 | bootstrap_labels | synonyms | ["(2E)-but-2-enedioyl dichloride","(E)-but-2-enedioyl dichloride","2-Butenedioyl dichloride","2-Butenedioyl dichloride,… | [] | Removed legacy synonyms field in favor of structured labels |
| 127,968 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 127,969 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-agri | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 213,409 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,141 | normalize_name_case | prefLabel | [{"@value":"fumaroyl chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedT… | [{"@value":"Fumaroyl Chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedT… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 227,370 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H2Cl2O2"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 227,371 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 227,372 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J517G","provenance":{"prov:wasGeneratedBy":"enrich_references.… | Added references with provenance; cas_numbers=['627-63-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[12324, 5325504]; selected_pubchem_cids=[5325504]; 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 |
| 248,370 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H2Cl2O2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H2Cl2O2"… | rdkit_pre_consensus from 'C(=C/C(=O)Cl)\\C(=O)Cl'; added: molecular_mass, monoisotopic_mass |
| 267,341 | consensus_match | altLabel | [] | [{"@value":"(2<em>E</em>)-2-Butenedioyl dichloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match",… | group_key=fumaroylchloride||dimension=Environmental > media=Air > strata=Unknown; cas=627-63-4; added Common Chemistry CAS names as altLabel: (2<em>E</em>)-2-Butenedioyl dichloride, (<em>E</em>)-But-2-enedioyl dichloride, 2-Butenedioyl dichloride, (2<em>E</em>)-, 2-Butenedioyl dichloride, (<em>E</em>)-, Fumaric acid chloride, Fumaric acid dichloride, Fumaric dichloride, Fumaroyl dichloride, Fumaryl chloride, Fumaryl dichloride; object_uuid=fo-c1f82b0189630d65 |
| 267,342 | consensus_match | cas_match_labels | — | {"627-63-4":"exactMatch"} | group_key=fumaroylchloride||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'627-63-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c1f82b0189630d65: {'627-63-4': 'exactMatch'} |
| 273,512 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H2Cl2O2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H2Cl2O2"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Fumaroyl Chloride' |
| 279,865 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H2Cl2O2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H2Cl2O2"… | rdkit_post_consensus from 'O=C(Cl)/C=C/C(=O)Cl'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,976 | dedupe_altlabels | altLabel | [{"@value":"(2<em>E</em>)-2-Butenedioyl dichloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match",… | [{"@value":"(2E)-2-Butenedioyl dichloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:was… | Deduplicated altLabel values and removed entries matching prefLabel |
| 345,006 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/838264d3-80ba-… | associations resolved on the elementary layer |
| 387,791 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H2Cl2O2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H2Cl2O2"… | typed the way the ontology types it |
| 394,267 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 394,268 | link_flows_to_their_substance | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H2Cl2O2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H2Cl2O2"… | the substance's answer, copied onto its flow |
PROV-O trail
20 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/20260820T0738569779880000/212 | prefLabel | ef:agent/bootstrap_labels | ef:flow/838264d3-80ba-415b-a255-82ad15e7f7f1/v0 | ef:flow/838264d3-80ba-415b-a255-82ad15e7f7f1/v1 |
| ef:activity/change/20260820T0738569779880000/213 | name | ef:agent/bootstrap_labels | ef:flow/838264d3-80ba-415b-a255-82ad15e7f7f1/v1 | ef:flow/838264d3-80ba-415b-a255-82ad15e7f7f1/v2 |
| ef:activity/change/20260820T0738569779880000/214 | synonyms | ef:agent/bootstrap_labels | ef:flow/838264d3-80ba-415b-a255-82ad15e7f7f1/v2 | ef:flow/838264d3-80ba-415b-a255-82ad15e7f7f1/v3 |
| ef:activity/change/20260820T0738569779880000/127968 | context | ef:agent/default_context_mapping | ef:flow/838264d3-80ba-415b-a255-82ad15e7f7f1/v3 | ef:flow/838264d3-80ba-415b-a255-82ad15e7f7f1/v4 |
| ef:activity/change/20260820T0738569779880000/127969 | context_iri | ef:agent/default_context_mapping | ef:flow/838264d3-80ba-415b-a255-82ad15e7f7f1/v4 | ef:flow/838264d3-80ba-415b-a255-82ad15e7f7f1/v5 |
| ef:activity/change/20260820T0738569779880000/213409 | unit_iri | ef:agent/unit_normalization | ef:flow/838264d3-80ba-415b-a255-82ad15e7f7f1/v5 | ef:flow/838264d3-80ba-415b-a255-82ad15e7f7f1/v6 |
| ef:activity/change/20260820T0738569779880000/221141 | prefLabel | ef:agent/normalize_name_case | ef:flow/838264d3-80ba-415b-a255-82ad15e7f7f1/v6 | ef:flow/838264d3-80ba-415b-a255-82ad15e7f7f1/v7 |
| ef:activity/change/20260820T0738569779880000/227370 | properties | ef:agent/enrich_references | ef:flow/838264d3-80ba-415b-a255-82ad15e7f7f1/v7 | ef:flow/838264d3-80ba-415b-a255-82ad15e7f7f1/v8 |
| ef:activity/change/20260820T0738569779880000/227371 | skos_definition | ef:agent/enrich_references | ef:flow/838264d3-80ba-415b-a255-82ad15e7f7f1/v8 | ef:flow/838264d3-80ba-415b-a255-82ad15e7f7f1/v9 |
| ef:activity/change/20260820T0738569779880000/227372 | references | ef:agent/enrich_references | ef:flow/838264d3-80ba-415b-a255-82ad15e7f7f1/v9 | ef:flow/838264d3-80ba-415b-a255-82ad15e7f7f1/v10 |
| ef:activity/change/20260820T0738569779880000/248370 | properties | ef:agent/rdkit_pre_consensus | ef:flow/838264d3-80ba-415b-a255-82ad15e7f7f1/v10 | ef:flow/838264d3-80ba-415b-a255-82ad15e7f7f1/v11 |
| ef:activity/change/20260820T0738569779880000/267341 | altLabel | ef:agent/consensus_match | ef:flow/838264d3-80ba-415b-a255-82ad15e7f7f1/v11 | ef:flow/838264d3-80ba-415b-a255-82ad15e7f7f1/v12 |
| ef:activity/change/20260820T0738569779880000/267342 | cas_match_labels | ef:agent/consensus_match | ef:flow/838264d3-80ba-415b-a255-82ad15e7f7f1/v12 | ef:flow/838264d3-80ba-415b-a255-82ad15e7f7f1/v13 |
| ef:activity/change/20260820T0738569779880000/273512 | properties | ef:agent/opsin_iupac | ef:flow/838264d3-80ba-415b-a255-82ad15e7f7f1/v13 | ef:flow/838264d3-80ba-415b-a255-82ad15e7f7f1/v14 |
| ef:activity/change/20260820T0738569779880000/279865 | properties | ef:agent/rdkit_post_consensus | ef:flow/838264d3-80ba-415b-a255-82ad15e7f7f1/v14 | ef:flow/838264d3-80ba-415b-a255-82ad15e7f7f1/v15 |
| ef:activity/change/20260820T0738569779880000/291976 | altLabel | ef:agent/dedupe_altlabels | ef:flow/838264d3-80ba-415b-a255-82ad15e7f7f1/v15 | ef:flow/838264d3-80ba-415b-a255-82ad15e7f7f1/v16 |
| ef:activity/change/20260820T0738569779880000/345006 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/838264d3-80ba-415b-a255-82ad15e7f7f1/v16 | ef:flow/838264d3-80ba-415b-a255-82ad15e7f7f1/v17 |
| ef:activity/change/20260820T0738569779880000/387791 | properties | ef:agent/normalise_property_values | ef:flow/838264d3-80ba-415b-a255-82ad15e7f7f1/v17 | ef:flow/838264d3-80ba-415b-a255-82ad15e7f7f1/v18 |
| ef:activity/change/20260820T0738569779880000/394267 | types | ef:agent/link_flows_to_their_substance | ef:flow/838264d3-80ba-415b-a255-82ad15e7f7f1/v18 | ef:flow/838264d3-80ba-415b-a255-82ad15e7f7f1/v19 |
| ef:activity/change/20260820T0738569779880000/394268 | properties | ef:agent/link_flows_to_their_substance | ef:flow/838264d3-80ba-415b-a255-82ad15e7f7f1/v19 | ef:flow/838264d3-80ba-415b-a255-82ad15e7f7f1/v20 |