Bromomethyl 2,5-dimethoxyphenyl Ketone
Everything that changed this flow. Back to the flow
6a12e746-6c1d-442c-8191-a359b611ed74
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 |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| altLabel | 1 | consensus_match | group_key=bromomethyl2,5-dimethoxyphenylketone||dimension=Environmental > media=Water > water_body=Surface water; cas=1204-21-3; added Common Chemistry CAS names as altLabel: 2,5-Dimethoxyphenacyl bromide, 2-Bromo-1-(2,5-dimethoxyphenyl)ethan-1-one, 2-Bromo-1-(2,5-dimethoxyphenyl)ethanone, 2-Bromo-2′,5′-dimethoxyacetophenone, Acetophenone, 2-bromo-2′,5′-dimethoxy-, Ethanone, 2-bromo-1-(2,5-dimethoxyphenyl)-, α-Bromo-2,5-dimethoxyacetophenone, ω-Bromo-2,5-dimethoxyacetophenone; object_uuid=fo-9404c682d8c5670c |
| cas_match_labels | 1 | consensus_match | group_key=bromomethyl2,5-dimethoxyphenylketone||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1204-21-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9404c682d8c5670c: {'1204-21-3': '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=['1204-21-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[70983, 70997]; selected_pubchem_cids=[70997]; 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 |
|---|---|---|---|---|---|
| 21,345 | bootstrap_labels | prefLabel | — | [{"@value":"bromomethyl 2,5-dimethoxyphenyl ketone","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels"… | Bootstrapped prefLabel from legacy name field |
| 21,346 | bootstrap_labels | name | bromomethyl 2,5-dimethoxyphenyl ketone | — | Purged legacy name field to enforce prefLabel usage |
| 21,347 | bootstrap_labels | synonyms | [".alpha.-Bromo-2',5'-dimethoxy acetophenone","1-[2,5-bis(methyloxy)phenyl]-2-bromoethanone","2,5-Dimethoxyphenacyl bro… | [] | Removed legacy synonyms field in favor of structured labels |
| 112,940 | 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 |
| 112,941 | 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 |
| 220,197 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,925 | normalize_name_case | prefLabel | [{"@value":"bromomethyl 2,5-dimethoxyphenyl ketone","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels"… | [{"@value":"Bromomethyl 2,5-dimethoxyphenyl Ketone","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels"… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 246,719 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H11BrO3… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 246,720 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 246,721 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J149.815K","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['1204-21-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[70983, 70997]; selected_pubchem_cids=[70997]; 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 |
| 253,957 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H11BrO3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H11BrO3… | rdkit_pre_consensus from 'COC1=CC(=C(C=C1)OC)C(=O)CBr'; added: molecular_mass, monoisotopic_mass |
| 264,473 | consensus_match | altLabel | [] | [{"@value":"2,5-Dimethoxyphenacyl bromide","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:was… | group_key=bromomethyl2,5-dimethoxyphenylketone||dimension=Environmental > media=Water > water_body=Surface water; cas=1204-21-3; added Common Chemistry CAS names as altLabel: 2,5-Dimethoxyphenacyl bromide, 2-Bromo-1-(2,5-dimethoxyphenyl)ethan-1-one, 2-Bromo-1-(2,5-dimethoxyphenyl)ethanone, 2-Bromo-2′,5′-dimethoxyacetophenone, Acetophenone, 2-bromo-2′,5′-dimethoxy-, Ethanone, 2-bromo-1-(2,5-dimethoxyphenyl)-, α-Bromo-2,5-dimethoxyacetophenone, ω-Bromo-2,5-dimethoxyacetophenone; object_uuid=fo-9404c682d8c5670c |
| 264,474 | consensus_match | cas_match_labels | — | {"1204-21-3":"exactMatch"} | group_key=bromomethyl2,5-dimethoxyphenylketone||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1204-21-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9404c682d8c5670c: {'1204-21-3': 'exactMatch'} |
| 279,147 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H11BrO3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H11BrO3… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Bromomethyl 2,5-dimethoxyphenyl Ketone' |
| 286,001 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H11BrO3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H11BrO3… | rdkit_post_consensus from 'COc1ccc(OC)c(C(=O)CBr)c1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 337,469 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/6a12e746-6c1d-… | associations resolved on the elementary layer |
| 393,536 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H11BrO3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H11BrO3… | typed the way the ontology types it |
| 402,572 | 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/20260821T1554374006150000/21345 | prefLabel | ef:agent/bootstrap_labels | ef:flow/6a12e746-6c1d-442c-8191-a359b611ed74/v0 | ef:flow/6a12e746-6c1d-442c-8191-a359b611ed74/v1 |
| ef:activity/change/20260821T1554374006150000/21346 | name | ef:agent/bootstrap_labels | ef:flow/6a12e746-6c1d-442c-8191-a359b611ed74/v1 | ef:flow/6a12e746-6c1d-442c-8191-a359b611ed74/v2 |
| ef:activity/change/20260821T1554374006150000/21347 | synonyms | ef:agent/bootstrap_labels | ef:flow/6a12e746-6c1d-442c-8191-a359b611ed74/v2 | ef:flow/6a12e746-6c1d-442c-8191-a359b611ed74/v3 |
| ef:activity/change/20260821T1554374006150000/112940 | context | ef:agent/default_context_mapping | ef:flow/6a12e746-6c1d-442c-8191-a359b611ed74/v3 | ef:flow/6a12e746-6c1d-442c-8191-a359b611ed74/v4 |
| ef:activity/change/20260821T1554374006150000/112941 | context_iri | ef:agent/default_context_mapping | ef:flow/6a12e746-6c1d-442c-8191-a359b611ed74/v4 | ef:flow/6a12e746-6c1d-442c-8191-a359b611ed74/v5 |
| ef:activity/change/20260821T1554374006150000/220197 | unit_iri | ef:agent/unit_normalization | ef:flow/6a12e746-6c1d-442c-8191-a359b611ed74/v5 | ef:flow/6a12e746-6c1d-442c-8191-a359b611ed74/v6 |
| ef:activity/change/20260821T1554374006150000/225925 | prefLabel | ef:agent/normalize_name_case | ef:flow/6a12e746-6c1d-442c-8191-a359b611ed74/v6 | ef:flow/6a12e746-6c1d-442c-8191-a359b611ed74/v7 |
| ef:activity/change/20260821T1554374006150000/246719 | properties | ef:agent/enrich_references | ef:flow/6a12e746-6c1d-442c-8191-a359b611ed74/v7 | ef:flow/6a12e746-6c1d-442c-8191-a359b611ed74/v8 |
| ef:activity/change/20260821T1554374006150000/246720 | skos_definition | ef:agent/enrich_references | ef:flow/6a12e746-6c1d-442c-8191-a359b611ed74/v8 | ef:flow/6a12e746-6c1d-442c-8191-a359b611ed74/v9 |
| ef:activity/change/20260821T1554374006150000/246721 | references | ef:agent/enrich_references | ef:flow/6a12e746-6c1d-442c-8191-a359b611ed74/v9 | ef:flow/6a12e746-6c1d-442c-8191-a359b611ed74/v10 |
| ef:activity/change/20260821T1554374006150000/253957 | properties | ef:agent/rdkit_pre_consensus | ef:flow/6a12e746-6c1d-442c-8191-a359b611ed74/v10 | ef:flow/6a12e746-6c1d-442c-8191-a359b611ed74/v11 |
| ef:activity/change/20260821T1554374006150000/264473 | altLabel | ef:agent/consensus_match | ef:flow/6a12e746-6c1d-442c-8191-a359b611ed74/v11 | ef:flow/6a12e746-6c1d-442c-8191-a359b611ed74/v12 |
| ef:activity/change/20260821T1554374006150000/264474 | cas_match_labels | ef:agent/consensus_match | ef:flow/6a12e746-6c1d-442c-8191-a359b611ed74/v12 | ef:flow/6a12e746-6c1d-442c-8191-a359b611ed74/v13 |
| ef:activity/change/20260821T1554374006150000/279147 | properties | ef:agent/opsin_iupac | ef:flow/6a12e746-6c1d-442c-8191-a359b611ed74/v13 | ef:flow/6a12e746-6c1d-442c-8191-a359b611ed74/v14 |
| ef:activity/change/20260821T1554374006150000/286001 | properties | ef:agent/rdkit_post_consensus | ef:flow/6a12e746-6c1d-442c-8191-a359b611ed74/v14 | ef:flow/6a12e746-6c1d-442c-8191-a359b611ed74/v15 |
| ef:activity/change/20260821T1554374006150000/337469 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/6a12e746-6c1d-442c-8191-a359b611ed74/v15 | ef:flow/6a12e746-6c1d-442c-8191-a359b611ed74/v16 |
| ef:activity/change/20260821T1554374006150000/393536 | properties | ef:agent/normalise_property_values | ef:flow/6a12e746-6c1d-442c-8191-a359b611ed74/v16 | ef:flow/6a12e746-6c1d-442c-8191-a359b611ed74/v17 |
| ef:activity/change/20260821T1554374006150000/402572 | types | ef:agent/link_flows_to_their_substance | ef:flow/6a12e746-6c1d-442c-8191-a359b611ed74/v17 | ef:flow/6a12e746-6c1d-442c-8191-a359b611ed74/v18 |