3,6-bis-biphenyl-4-yl-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione
Everything that changed this flow. Back to the flow
6301a4c3-9d56-427c-a2e6-96303e402f8e
By field
12 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 |
| cas_match_labels | 1 | consensus_match | group_key=3,6-bis-biphenyl-4-yl-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione||dimension=Environmental > media=Water > water_body=Long-term; group_sources=[]; cas_sources={'88949-33-1': []}; assigned CAS labels from group consensus; object_uuid=fo-8ef5b0f28635524a: {'88949-33-1': '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=['88949-33-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[135401970]; selected_pubchem_cids=[135401970]; 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
16| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 6,094 | bootstrap_labels | prefLabel | — | [{"@value":"3,6-bis-biphenyl-4-yl-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione","@language":"en","source":{"prov:wasGener… | Bootstrapped prefLabel from legacy name field |
| 6,095 | bootstrap_labels | name | 3,6-bis-biphenyl-4-yl-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione | — | Purged legacy name field to enforce prefLabel usage |
| 6,096 | bootstrap_labels | synonyms | ["organic","irgazindpprot4013a","casacolourred2640","irgazindpprubinetr"] | [] | Removed legacy synonyms field in favor of structured labels |
| 108,586 | 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 |
| 108,587 | 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 |
| 215,376 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 233,041 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C30H20N2O2… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 233,042 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 233,043 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.522.337E","provenance":{"prov:wasGeneratedBy":"enrich_refer… | Added references with provenance; cas_numbers=['88949-33-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[135401970]; selected_pubchem_cids=[135401970]; 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 |
| 250,007 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C30H20N2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C30H20N2O2… | rdkit_pre_consensus from 'C1=CC=C(C=C1)C2=CC=C(C=C2)C3=C4C(=C(N3)O)C(=NC4=O)C5=CC=C(C=C5)C6=CC=CC=C6'; added: molecular_mass, monoisotopic_mass |
| 261,640 | consensus_match | cas_match_labels | — | {"88949-33-1":"exactMatch"} | group_key=3,6-bis-biphenyl-4-yl-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione||dimension=Environmental > media=Water > water_body=Long-term; group_sources=[]; cas_sources={'88949-33-1': []}; assigned CAS labels from group consensus; object_uuid=fo-8ef5b0f28635524a: {'88949-33-1': 'exactMatch'} |
| 275,142 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C30H20N2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C30H20N2O2… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '3,6-bis-biphenyl-4-yl-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione' |
| 281,639 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C30H20N2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C30H20N2O2… | rdkit_post_consensus from 'O=C1NC(c2ccc(-c3ccccc3)cc2)=C2C(=O)NC(c3ccc(-c4ccccc4)cc3)=C12'; added: inchi2d_key_string; confirmed: smiles_string, inchi2d_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 286,850 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C30H20N2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C30H20N2O2… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 335,291 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/6301a4c3-9d56-… | associations resolved on the elementary layer |
| 396,605 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
16 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/20260821T1302361922970000/6094 | prefLabel | ef:agent/bootstrap_labels | ef:flow/6301a4c3-9d56-427c-a2e6-96303e402f8e/v0 | ef:flow/6301a4c3-9d56-427c-a2e6-96303e402f8e/v1 |
| ef:activity/change/20260821T1302361922970000/6095 | name | ef:agent/bootstrap_labels | ef:flow/6301a4c3-9d56-427c-a2e6-96303e402f8e/v1 | ef:flow/6301a4c3-9d56-427c-a2e6-96303e402f8e/v2 |
| ef:activity/change/20260821T1302361922970000/6096 | synonyms | ef:agent/bootstrap_labels | ef:flow/6301a4c3-9d56-427c-a2e6-96303e402f8e/v2 | ef:flow/6301a4c3-9d56-427c-a2e6-96303e402f8e/v3 |
| ef:activity/change/20260821T1302361922970000/108586 | context | ef:agent/default_context_mapping | ef:flow/6301a4c3-9d56-427c-a2e6-96303e402f8e/v3 | ef:flow/6301a4c3-9d56-427c-a2e6-96303e402f8e/v4 |
| ef:activity/change/20260821T1302361922970000/108587 | context_iri | ef:agent/default_context_mapping | ef:flow/6301a4c3-9d56-427c-a2e6-96303e402f8e/v4 | ef:flow/6301a4c3-9d56-427c-a2e6-96303e402f8e/v5 |
| ef:activity/change/20260821T1302361922970000/215376 | unit_iri | ef:agent/unit_normalization | ef:flow/6301a4c3-9d56-427c-a2e6-96303e402f8e/v5 | ef:flow/6301a4c3-9d56-427c-a2e6-96303e402f8e/v6 |
| ef:activity/change/20260821T1302361922970000/233041 | properties | ef:agent/enrich_references | ef:flow/6301a4c3-9d56-427c-a2e6-96303e402f8e/v6 | ef:flow/6301a4c3-9d56-427c-a2e6-96303e402f8e/v7 |
| ef:activity/change/20260821T1302361922970000/233042 | skos_definition | ef:agent/enrich_references | ef:flow/6301a4c3-9d56-427c-a2e6-96303e402f8e/v7 | ef:flow/6301a4c3-9d56-427c-a2e6-96303e402f8e/v8 |
| ef:activity/change/20260821T1302361922970000/233043 | references | ef:agent/enrich_references | ef:flow/6301a4c3-9d56-427c-a2e6-96303e402f8e/v8 | ef:flow/6301a4c3-9d56-427c-a2e6-96303e402f8e/v9 |
| ef:activity/change/20260821T1302361922970000/250007 | properties | ef:agent/rdkit_pre_consensus | ef:flow/6301a4c3-9d56-427c-a2e6-96303e402f8e/v9 | ef:flow/6301a4c3-9d56-427c-a2e6-96303e402f8e/v10 |
| ef:activity/change/20260821T1302361922970000/261640 | cas_match_labels | ef:agent/consensus_match | ef:flow/6301a4c3-9d56-427c-a2e6-96303e402f8e/v10 | ef:flow/6301a4c3-9d56-427c-a2e6-96303e402f8e/v11 |
| ef:activity/change/20260821T1302361922970000/275142 | properties | ef:agent/opsin_iupac | ef:flow/6301a4c3-9d56-427c-a2e6-96303e402f8e/v11 | ef:flow/6301a4c3-9d56-427c-a2e6-96303e402f8e/v12 |
| ef:activity/change/20260821T1302361922970000/281639 | properties | ef:agent/rdkit_post_consensus | ef:flow/6301a4c3-9d56-427c-a2e6-96303e402f8e/v12 | ef:flow/6301a4c3-9d56-427c-a2e6-96303e402f8e/v13 |
| ef:activity/change/20260821T1302361922970000/286850 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/6301a4c3-9d56-427c-a2e6-96303e402f8e/v13 | ef:flow/6301a4c3-9d56-427c-a2e6-96303e402f8e/v14 |
| ef:activity/change/20260821T1302361922970000/335291 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/6301a4c3-9d56-427c-a2e6-96303e402f8e/v14 | ef:flow/6301a4c3-9d56-427c-a2e6-96303e402f8e/v15 |
| ef:activity/change/20260821T1302361922970000/396605 | types | ef:agent/link_flows_to_their_substance | ef:flow/6301a4c3-9d56-427c-a2e6-96303e402f8e/v15 | ef:flow/6301a4c3-9d56-427c-a2e6-96303e402f8e/v16 |