2,2-dimethylpropan-1-ol, Tribromo Derivative
Everything that changed this flow. Back to the flow
39ab3924-6f88-4746-8cc7-61c429c4fe45
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus, withhold_ambiguous_mass | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes 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=2,2-dimethylpropan-1-ol,tribromoderivative||dimension=Environmental > media=Water > water_body=Long-term; cas=36483-57-5; added Common Chemistry CAS names as altLabel: 1-Propanol, 2,2-dimethyl-, tribromo deriv., Tribromoneopentyl alcohol; object_uuid=fo-49afdaaa45bad978 |
| cas_match_labels | 1 | consensus_match | group_key=2,2-dimethylpropan-1-ol,tribromoderivative||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['ec_inventory']; cas_sources={'36483-57-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-49afdaaa45bad978: {'36483-57-5': '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=['36483-57-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[15206, 21966273, 57488653]; selected_pubchem_cids=[15206]; 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 |
|---|---|---|---|---|---|
| 16,744 | bootstrap_labels | prefLabel | — | [{"@value":"2,2-dimethylpropan-1-ol, tribromo derivative","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_l… | Bootstrapped prefLabel from legacy name field |
| 16,745 | bootstrap_labels | name | 2,2-dimethylpropan-1-ol, tribromo derivative | — | Purged legacy name field to enforce prefLabel usage |
| 16,746 | bootstrap_labels | synonyms | ["organic","2,2-dimethylpropan-1-ol,tribromoderivative","fr-513"] | [] | Removed legacy synonyms field in favor of structured labels |
| 74,862 | 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 |
| 74,863 | 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 |
| 218,831 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,924 | normalize_name_case | prefLabel | [{"@value":"2,2-dimethylpropan-1-ol, tribromo derivative","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_l… | [{"@value":"2,2-dimethylpropan-1-ol, Tribromo Derivative","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_l… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 242,915 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H9Br3O"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 242,916 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 242,917 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J111.581B","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['36483-57-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[15206, 21966273, 57488653]; selected_pubchem_cids=[15206]; 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 |
| 252,850 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H9Br3O"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H9Br3O"]… | rdkit_pre_consensus from 'C(C(CBr)(CBr)CBr)O'; added: molecular_mass, monoisotopic_mass |
| 259,662 | consensus_match | altLabel | [] | [{"@value":"1-Propanol, 2,2-dimethyl-, tribromo deriv.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_mat… | group_key=2,2-dimethylpropan-1-ol,tribromoderivative||dimension=Environmental > media=Water > water_body=Long-term; cas=36483-57-5; added Common Chemistry CAS names as altLabel: 1-Propanol, 2,2-dimethyl-, tribromo deriv., Tribromoneopentyl alcohol; object_uuid=fo-49afdaaa45bad978 |
| 259,663 | consensus_match | cas_match_labels | — | {"36483-57-5":"exactMatch"} | group_key=2,2-dimethylpropan-1-ol,tribromoderivative||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['ec_inventory']; cas_sources={'36483-57-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-49afdaaa45bad978: {'36483-57-5': 'exactMatch'} |
| 278,053 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H9Br3O"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H9Br3O"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Tribromoneopentyl alcohol' |
| 284,783 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H9Br3O"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H9Br3O"]… | rdkit_post_consensus from 'CC(C)(CBr)C(O)(Br)Br'; added: inchi2d_key_string; confirmed: smiles_string, inchi2d_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,091 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H9Br3O"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H9Br3O"]… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 318,445 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/39ab3924-6f88-… | associations resolved on the elementary layer |
| 400,862 | 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/20260821T1122181958110000/16744 | prefLabel | ef:agent/bootstrap_labels | ef:flow/39ab3924-6f88-4746-8cc7-61c429c4fe45/v0 | ef:flow/39ab3924-6f88-4746-8cc7-61c429c4fe45/v1 |
| ef:activity/change/20260821T1122181958110000/16745 | name | ef:agent/bootstrap_labels | ef:flow/39ab3924-6f88-4746-8cc7-61c429c4fe45/v1 | ef:flow/39ab3924-6f88-4746-8cc7-61c429c4fe45/v2 |
| ef:activity/change/20260821T1122181958110000/16746 | synonyms | ef:agent/bootstrap_labels | ef:flow/39ab3924-6f88-4746-8cc7-61c429c4fe45/v2 | ef:flow/39ab3924-6f88-4746-8cc7-61c429c4fe45/v3 |
| ef:activity/change/20260821T1122181958110000/74862 | context | ef:agent/default_context_mapping | ef:flow/39ab3924-6f88-4746-8cc7-61c429c4fe45/v3 | ef:flow/39ab3924-6f88-4746-8cc7-61c429c4fe45/v4 |
| ef:activity/change/20260821T1122181958110000/74863 | context_iri | ef:agent/default_context_mapping | ef:flow/39ab3924-6f88-4746-8cc7-61c429c4fe45/v4 | ef:flow/39ab3924-6f88-4746-8cc7-61c429c4fe45/v5 |
| ef:activity/change/20260821T1122181958110000/218831 | unit_iri | ef:agent/unit_normalization | ef:flow/39ab3924-6f88-4746-8cc7-61c429c4fe45/v5 | ef:flow/39ab3924-6f88-4746-8cc7-61c429c4fe45/v6 |
| ef:activity/change/20260821T1122181958110000/224924 | prefLabel | ef:agent/normalize_name_case | ef:flow/39ab3924-6f88-4746-8cc7-61c429c4fe45/v6 | ef:flow/39ab3924-6f88-4746-8cc7-61c429c4fe45/v7 |
| ef:activity/change/20260821T1122181958110000/242915 | properties | ef:agent/enrich_references | ef:flow/39ab3924-6f88-4746-8cc7-61c429c4fe45/v7 | ef:flow/39ab3924-6f88-4746-8cc7-61c429c4fe45/v8 |
| ef:activity/change/20260821T1122181958110000/242916 | skos_definition | ef:agent/enrich_references | ef:flow/39ab3924-6f88-4746-8cc7-61c429c4fe45/v8 | ef:flow/39ab3924-6f88-4746-8cc7-61c429c4fe45/v9 |
| ef:activity/change/20260821T1122181958110000/242917 | references | ef:agent/enrich_references | ef:flow/39ab3924-6f88-4746-8cc7-61c429c4fe45/v9 | ef:flow/39ab3924-6f88-4746-8cc7-61c429c4fe45/v10 |
| ef:activity/change/20260821T1122181958110000/252850 | properties | ef:agent/rdkit_pre_consensus | ef:flow/39ab3924-6f88-4746-8cc7-61c429c4fe45/v10 | ef:flow/39ab3924-6f88-4746-8cc7-61c429c4fe45/v11 |
| ef:activity/change/20260821T1122181958110000/259662 | altLabel | ef:agent/consensus_match | ef:flow/39ab3924-6f88-4746-8cc7-61c429c4fe45/v11 | ef:flow/39ab3924-6f88-4746-8cc7-61c429c4fe45/v12 |
| ef:activity/change/20260821T1122181958110000/259663 | cas_match_labels | ef:agent/consensus_match | ef:flow/39ab3924-6f88-4746-8cc7-61c429c4fe45/v12 | ef:flow/39ab3924-6f88-4746-8cc7-61c429c4fe45/v13 |
| ef:activity/change/20260821T1122181958110000/278053 | properties | ef:agent/opsin_iupac | ef:flow/39ab3924-6f88-4746-8cc7-61c429c4fe45/v13 | ef:flow/39ab3924-6f88-4746-8cc7-61c429c4fe45/v14 |
| ef:activity/change/20260821T1122181958110000/284783 | properties | ef:agent/rdkit_post_consensus | ef:flow/39ab3924-6f88-4746-8cc7-61c429c4fe45/v14 | ef:flow/39ab3924-6f88-4746-8cc7-61c429c4fe45/v15 |
| ef:activity/change/20260821T1122181958110000/287091 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/39ab3924-6f88-4746-8cc7-61c429c4fe45/v15 | ef:flow/39ab3924-6f88-4746-8cc7-61c429c4fe45/v16 |
| ef:activity/change/20260821T1122181958110000/318445 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/39ab3924-6f88-4746-8cc7-61c429c4fe45/v16 | ef:flow/39ab3924-6f88-4746-8cc7-61c429c4fe45/v17 |
| ef:activity/change/20260821T1122181958110000/400862 | types | ef:agent/link_flows_to_their_substance | ef:flow/39ab3924-6f88-4746-8cc7-61c429c4fe45/v17 | ef:flow/39ab3924-6f88-4746-8cc7-61c429c4fe45/v18 |