(1r,4r,5s)-6,6-dimethyl-4-(tribromomethyl)-3-oxabicyclo[3.1.0]hexan-2-one
Everything that changed this flow. Back to the flow
382c90f6-c08d-4263-9e08-7f18ca64ea0f
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 |
| cas_match_labels | 1 | consensus_match | group_key=(1r,4r,5s)-6,6-dimethyl-4-(tribromomethyl)-3-oxabicyclo[3.1.0]hexan-2-one||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'87305-03-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ff5613ca80973233: {'87305-03-1': '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, indoor |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 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=['87305-03-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[12525226]; selected_pubchem_cids=[12525226]; 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 |
|---|---|---|---|---|---|
| 10,536 | bootstrap_labels | prefLabel | — | [{"@value":"(1r,4r,5s)-6,6-dimethyl-4-(tribromomethyl)-3-oxabicyclo[3.1.0]hexan-2-one","@language":"en","source":{"prov… | Bootstrapped prefLabel from legacy name field |
| 10,537 | bootstrap_labels | name | (1r,4r,5s)-6,6-dimethyl-4-(tribromomethyl)-3-oxabicyclo[3.1.0]hexan-2-one | — | Purged legacy name field to enforce prefLabel usage |
| 10,538 | bootstrap_labels | synonyms | ["organic","(1r,4r,5s)-6,6-dimethyl-4-(tribromomethyl)-3-oxabicyclo[3.1.0]hexan-2-one","haloester"] | [] | Removed legacy synonyms field in favor of structured labels |
| 73,984 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 73,985 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 216,840 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 237,221 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H9Br3O2"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 237,222 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 237,223 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.121.433","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['87305-03-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[12525226]; selected_pubchem_cids=[12525226]; 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 |
| 251,201 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H9Br3O2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H9Br3O2"… | rdkit_pre_consensus from 'CC1(C2C1C(=O)OC2C(Br)(Br)Br)C'; added: inchi2d_string, molecular_mass, monoisotopic_mass |
| 257,571 | consensus_match | altLabel | [] | [{"@value":"3-Oxabicyclo[3.1.0]hexan-2-one, 6,6-dimethyl-4-(tribromomethyl)-, (1<em>R</em>,4<em>R</em>,5<em>S</em>)-","… | group_key=(1r,4r,5s)-6,6-dimethyl-4-(tribromomethyl)-3-oxabicyclo[3.1.0]hexan-2-one||dimension=Environmental > media=Ground > geography=Agricultural; cas=87305-03-1; added Common Chemistry CAS names as altLabel: 3-Oxabicyclo[3.1.0]hexan-2-one, 6,6-dimethyl-4-(tribromomethyl)-, (1<em>R</em>,4<em>R</em>,5<em>S</em>)-, 3-Oxabicyclo[3.1.0]hexan-2-one, 6,6-dimethyl-4-(tribromomethyl)-, [1<em>R</em>-(1α,4α,5α)]-; object_uuid=fo-ff5613ca80973233 |
| 257,572 | consensus_match | cas_match_labels | — | {"87305-03-1":"exactMatch"} | group_key=(1r,4r,5s)-6,6-dimethyl-4-(tribromomethyl)-3-oxabicyclo[3.1.0]hexan-2-one||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'87305-03-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ff5613ca80973233: {'87305-03-1': 'exactMatch'} |
| 276,400 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H9Br3O2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H9Br3O2"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '(1r,4r,5s)-6,6-dimethyl-4-(tribromomethyl)-3-oxabicyclo[3.1.0]hexan-2-one' |
| 282,999 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H9Br3O2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H9Br3O2"… | rdkit_post_consensus from 'CC1(C)[C@H]2[C@H](C(Br)(Br)Br)OC(=O)[C@H]21'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,536 | dedupe_altlabels | altLabel | [{"@value":"3-Oxabicyclo[3.1.0]hexan-2-one, 6,6-dimethyl-4-(tribromomethyl)-, (1<em>R</em>,4<em>R</em>,5<em>S</em>)-","… | [{"@value":"3-Oxabicyclo[3.1.0]hexan-2-one, 6,6-dimethyl-4-(tribromomethyl)-, (1R,4R,5S)-","@language":"en","source":{"… | Deduplicated altLabel values and removed entries matching prefLabel |
| 318,028 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/382c90f6-c08d-… | associations resolved on the elementary layer |
| 390,753 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H9Br3O2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H9Br3O2"… | typed the way the ontology types it |
| 398,505 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 398,506 | link_flows_to_their_substance | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H9Br3O2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H9Br3O2"… | 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/20260820T0738569779880000/10536 | prefLabel | ef:agent/bootstrap_labels | ef:flow/382c90f6-c08d-4263-9e08-7f18ca64ea0f/v0 | ef:flow/382c90f6-c08d-4263-9e08-7f18ca64ea0f/v1 |
| ef:activity/change/20260820T0738569779880000/10537 | name | ef:agent/bootstrap_labels | ef:flow/382c90f6-c08d-4263-9e08-7f18ca64ea0f/v1 | ef:flow/382c90f6-c08d-4263-9e08-7f18ca64ea0f/v2 |
| ef:activity/change/20260820T0738569779880000/10538 | synonyms | ef:agent/bootstrap_labels | ef:flow/382c90f6-c08d-4263-9e08-7f18ca64ea0f/v2 | ef:flow/382c90f6-c08d-4263-9e08-7f18ca64ea0f/v3 |
| ef:activity/change/20260820T0738569779880000/73984 | context | ef:agent/default_context_mapping | ef:flow/382c90f6-c08d-4263-9e08-7f18ca64ea0f/v3 | ef:flow/382c90f6-c08d-4263-9e08-7f18ca64ea0f/v4 |
| ef:activity/change/20260820T0738569779880000/73985 | context_iri | ef:agent/default_context_mapping | ef:flow/382c90f6-c08d-4263-9e08-7f18ca64ea0f/v4 | ef:flow/382c90f6-c08d-4263-9e08-7f18ca64ea0f/v5 |
| ef:activity/change/20260820T0738569779880000/216840 | unit_iri | ef:agent/unit_normalization | ef:flow/382c90f6-c08d-4263-9e08-7f18ca64ea0f/v5 | ef:flow/382c90f6-c08d-4263-9e08-7f18ca64ea0f/v6 |
| ef:activity/change/20260820T0738569779880000/237221 | properties | ef:agent/enrich_references | ef:flow/382c90f6-c08d-4263-9e08-7f18ca64ea0f/v6 | ef:flow/382c90f6-c08d-4263-9e08-7f18ca64ea0f/v7 |
| ef:activity/change/20260820T0738569779880000/237222 | skos_definition | ef:agent/enrich_references | ef:flow/382c90f6-c08d-4263-9e08-7f18ca64ea0f/v7 | ef:flow/382c90f6-c08d-4263-9e08-7f18ca64ea0f/v8 |
| ef:activity/change/20260820T0738569779880000/237223 | references | ef:agent/enrich_references | ef:flow/382c90f6-c08d-4263-9e08-7f18ca64ea0f/v8 | ef:flow/382c90f6-c08d-4263-9e08-7f18ca64ea0f/v9 |
| ef:activity/change/20260820T0738569779880000/251201 | properties | ef:agent/rdkit_pre_consensus | ef:flow/382c90f6-c08d-4263-9e08-7f18ca64ea0f/v9 | ef:flow/382c90f6-c08d-4263-9e08-7f18ca64ea0f/v10 |
| ef:activity/change/20260820T0738569779880000/257571 | altLabel | ef:agent/consensus_match | ef:flow/382c90f6-c08d-4263-9e08-7f18ca64ea0f/v10 | ef:flow/382c90f6-c08d-4263-9e08-7f18ca64ea0f/v11 |
| ef:activity/change/20260820T0738569779880000/257572 | cas_match_labels | ef:agent/consensus_match | ef:flow/382c90f6-c08d-4263-9e08-7f18ca64ea0f/v11 | ef:flow/382c90f6-c08d-4263-9e08-7f18ca64ea0f/v12 |
| ef:activity/change/20260820T0738569779880000/276400 | properties | ef:agent/opsin_iupac | ef:flow/382c90f6-c08d-4263-9e08-7f18ca64ea0f/v12 | ef:flow/382c90f6-c08d-4263-9e08-7f18ca64ea0f/v13 |
| ef:activity/change/20260820T0738569779880000/282999 | properties | ef:agent/rdkit_post_consensus | ef:flow/382c90f6-c08d-4263-9e08-7f18ca64ea0f/v13 | ef:flow/382c90f6-c08d-4263-9e08-7f18ca64ea0f/v14 |
| ef:activity/change/20260820T0738569779880000/292536 | altLabel | ef:agent/dedupe_altlabels | ef:flow/382c90f6-c08d-4263-9e08-7f18ca64ea0f/v14 | ef:flow/382c90f6-c08d-4263-9e08-7f18ca64ea0f/v15 |
| ef:activity/change/20260820T0738569779880000/318028 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/382c90f6-c08d-4263-9e08-7f18ca64ea0f/v15 | ef:flow/382c90f6-c08d-4263-9e08-7f18ca64ea0f/v16 |
| ef:activity/change/20260820T0738569779880000/390753 | properties | ef:agent/normalise_property_values | ef:flow/382c90f6-c08d-4263-9e08-7f18ca64ea0f/v16 | ef:flow/382c90f6-c08d-4263-9e08-7f18ca64ea0f/v17 |
| ef:activity/change/20260820T0738569779880000/398505 | types | ef:agent/link_flows_to_their_substance | ef:flow/382c90f6-c08d-4263-9e08-7f18ca64ea0f/v17 | ef:flow/382c90f6-c08d-4263-9e08-7f18ca64ea0f/v18 |
| ef:activity/change/20260820T0738569779880000/398506 | properties | ef:agent/link_flows_to_their_substance | ef:flow/382c90f6-c08d-4263-9e08-7f18ca64ea0f/v18 | ef:flow/382c90f6-c08d-4263-9e08-7f18ca64ea0f/v19 |