3,3'-(3,6-dioxo-2,3,5,6-tetrahydropyrrolo[3,4-c]pyrrole-1,4-diyl)dibenzonitrile
Everything that changed this flow. Back to the flow
0cca2256-7078-4879-a22b-2db21ac3bb4a
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 |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 2 catalogue altLabel value(s): 'C.I. 561200' (registry code), 'PO 71' (grade code) |
| cas_match_labels | 1 | consensus_match | group_key=3,3'-(3,6-dioxo-2,3,5,6-tetrahydropyrrolo[3,4-c]pyrrole-1,4-diyl)dibenzonitrile||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'84632-50-8': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7e62fc6fc1bb0c85: {'84632-50-8': '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 |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['84632-50-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[22995103, 135440630]; selected_pubchem_cids=[135440630]; 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 |
|---|---|---|---|---|---|
| 11,232 | bootstrap_labels | prefLabel | — | [{"@value":"3,3'-(3,6-dioxo-2,3,5,6-tetrahydropyrrolo[3,4-c]pyrrole-1,4-diyl)dibenzonitrile","@language":"en","source":… | Bootstrapped prefLabel from legacy name field |
| 11,233 | bootstrap_labels | name | 3,3'-(3,6-dioxo-2,3,5,6-tetrahydropyrrolo[3,4-c]pyrrole-1,4-diyl)dibenzonitrile | — | Purged legacy name field to enforce prefLabel usage |
| 11,234 | bootstrap_labels | synonyms | ["organic","cromophtaldpporangetr"] | [] | Removed legacy synonyms field in favor of structured labels |
| 44,008 | 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 |
| 44,009 | 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 |
| 217,062 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 237,867 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H10N4O2… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 237,868 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 237,869 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.185.500H","provenance":{"prov:wasGeneratedBy":"enrich_refer… | Added references with provenance; cas_numbers=['84632-50-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[22995103, 135440630]; selected_pubchem_cids=[135440630]; 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 |
| 251,388 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H10N4O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H10N4O2… | rdkit_pre_consensus from 'C1=CC(=CC(=C1)C2=C3C(=C(N2)O)C(=NC3=O)C4=CC=CC(=C4)C#N)C#N'; added: molecular_mass, monoisotopic_mass |
| 261,421 | consensus_match | altLabel | [] | [{"@value":"1,4-Diketo-3,6-di(3-cyanophenyl)pyrrolo(3,4-c)pyrrole","@language":"en","source":{"prov:wasGeneratedBy":"co… | group_key=3,3'-(3,6-dioxo-2,3,5,6-tetrahydropyrrolo[3,4-c]pyrrole-1,4-diyl)dibenzonitrile||dimension=Environmental > media=Ground > geography=Agricultural; cas=84632-50-8; added Common Chemistry CAS names as altLabel: 1,4-Diketo-3,6-di(3-cyanophenyl)pyrrolo(3,4-c)pyrrole, 3,3′-(2,3,5,6-Tetrahydro-3,6-dioxopyrrolo[3,4-<em>c</em>]pyrrole-1,4-diyl)bis[benzonitrile], 3,6-Bis(3-cyanophenyl)-2,5-dihydropyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione, Benzonitrile, 3,3′-(2,3,5,6-tetrahydro-3,6-dioxopyrrolo[3,4-<em>c</em>]pyrrole-1,4-diyl)bis-, C.I. 561200, C.I. Pigment Orange 71, Cromophtal DPP Orange TR, Cromophtal DPP Orange TRP, DPP Orange TR, DPP Orange TRP, Irgazin DPP Cosmoray, Irgazin DPP Orange 398, Irgazin Orange D 2905, PO 71, Pigment Orange 71, Pyrrolo[3,4-<em>c</em>]pyrrole, benzonitrile deriv.; object_uuid=fo-7e62fc6fc1bb0c85 |
| 261,422 | consensus_match | cas_match_labels | — | {"84632-50-8":"exactMatch"} | group_key=3,3'-(3,6-dioxo-2,3,5,6-tetrahydropyrrolo[3,4-c]pyrrole-1,4-diyl)dibenzonitrile||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'84632-50-8': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7e62fc6fc1bb0c85: {'84632-50-8': 'exactMatch'} |
| 276,568 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H10N4O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H10N4O2… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '3,3'-(3,6-dioxo-2,3,5,6-tetrahydropyrrolo[3,4-c]pyrrole-1,4-diyl)dibenzonitrile' |
| 283,185 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H10N4O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H10N4O2… | rdkit_post_consensus from 'N#Cc1cccc(C2=C3C(=O)NC(c4cccc(C#N)c4)=C3C(=O)N2)c1'; added: inchi2d_key_string; confirmed: smiles_string, inchi2d_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 286,958 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H10N4O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H10N4O2… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 289,580 | strip_catalogue_altlabels | altLabel | [{"@value":"1,4-Diketo-3,6-di(3-cyanophenyl)pyrrolo(3,4-c)pyrrole","@language":"en","source":{"prov:wasGeneratedBy":"co… | [{"@value":"1,4-Diketo-3,6-di(3-cyanophenyl)pyrrolo(3,4-c)pyrrole","@language":"en","source":{"prov:wasGeneratedBy":"co… | Removed 2 catalogue altLabel value(s): 'C.I. 561200' (registry code), 'PO 71' (grade code) |
| 303,030 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/0cca2256-7078-… | associations resolved on the elementary layer |
| 398,742 | 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/20260821T1302361922970000/11232 | prefLabel | ef:agent/bootstrap_labels | ef:flow/0cca2256-7078-4879-a22b-2db21ac3bb4a/v0 | ef:flow/0cca2256-7078-4879-a22b-2db21ac3bb4a/v1 |
| ef:activity/change/20260821T1302361922970000/11233 | name | ef:agent/bootstrap_labels | ef:flow/0cca2256-7078-4879-a22b-2db21ac3bb4a/v1 | ef:flow/0cca2256-7078-4879-a22b-2db21ac3bb4a/v2 |
| ef:activity/change/20260821T1302361922970000/11234 | synonyms | ef:agent/bootstrap_labels | ef:flow/0cca2256-7078-4879-a22b-2db21ac3bb4a/v2 | ef:flow/0cca2256-7078-4879-a22b-2db21ac3bb4a/v3 |
| ef:activity/change/20260821T1302361922970000/44008 | context | ef:agent/default_context_mapping | ef:flow/0cca2256-7078-4879-a22b-2db21ac3bb4a/v3 | ef:flow/0cca2256-7078-4879-a22b-2db21ac3bb4a/v4 |
| ef:activity/change/20260821T1302361922970000/44009 | context_iri | ef:agent/default_context_mapping | ef:flow/0cca2256-7078-4879-a22b-2db21ac3bb4a/v4 | ef:flow/0cca2256-7078-4879-a22b-2db21ac3bb4a/v5 |
| ef:activity/change/20260821T1302361922970000/217062 | unit_iri | ef:agent/unit_normalization | ef:flow/0cca2256-7078-4879-a22b-2db21ac3bb4a/v5 | ef:flow/0cca2256-7078-4879-a22b-2db21ac3bb4a/v6 |
| ef:activity/change/20260821T1302361922970000/237867 | properties | ef:agent/enrich_references | ef:flow/0cca2256-7078-4879-a22b-2db21ac3bb4a/v6 | ef:flow/0cca2256-7078-4879-a22b-2db21ac3bb4a/v7 |
| ef:activity/change/20260821T1302361922970000/237868 | skos_definition | ef:agent/enrich_references | ef:flow/0cca2256-7078-4879-a22b-2db21ac3bb4a/v7 | ef:flow/0cca2256-7078-4879-a22b-2db21ac3bb4a/v8 |
| ef:activity/change/20260821T1302361922970000/237869 | references | ef:agent/enrich_references | ef:flow/0cca2256-7078-4879-a22b-2db21ac3bb4a/v8 | ef:flow/0cca2256-7078-4879-a22b-2db21ac3bb4a/v9 |
| ef:activity/change/20260821T1302361922970000/251388 | properties | ef:agent/rdkit_pre_consensus | ef:flow/0cca2256-7078-4879-a22b-2db21ac3bb4a/v9 | ef:flow/0cca2256-7078-4879-a22b-2db21ac3bb4a/v10 |
| ef:activity/change/20260821T1302361922970000/261421 | altLabel | ef:agent/consensus_match | ef:flow/0cca2256-7078-4879-a22b-2db21ac3bb4a/v10 | ef:flow/0cca2256-7078-4879-a22b-2db21ac3bb4a/v11 |
| ef:activity/change/20260821T1302361922970000/261422 | cas_match_labels | ef:agent/consensus_match | ef:flow/0cca2256-7078-4879-a22b-2db21ac3bb4a/v11 | ef:flow/0cca2256-7078-4879-a22b-2db21ac3bb4a/v12 |
| ef:activity/change/20260821T1302361922970000/276568 | properties | ef:agent/opsin_iupac | ef:flow/0cca2256-7078-4879-a22b-2db21ac3bb4a/v12 | ef:flow/0cca2256-7078-4879-a22b-2db21ac3bb4a/v13 |
| ef:activity/change/20260821T1302361922970000/283185 | properties | ef:agent/rdkit_post_consensus | ef:flow/0cca2256-7078-4879-a22b-2db21ac3bb4a/v13 | ef:flow/0cca2256-7078-4879-a22b-2db21ac3bb4a/v14 |
| ef:activity/change/20260821T1302361922970000/286958 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/0cca2256-7078-4879-a22b-2db21ac3bb4a/v14 | ef:flow/0cca2256-7078-4879-a22b-2db21ac3bb4a/v15 |
| ef:activity/change/20260821T1302361922970000/289580 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/0cca2256-7078-4879-a22b-2db21ac3bb4a/v15 | ef:flow/0cca2256-7078-4879-a22b-2db21ac3bb4a/v16 |
| ef:activity/change/20260821T1302361922970000/303030 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/0cca2256-7078-4879-a22b-2db21ac3bb4a/v16 | ef:flow/0cca2256-7078-4879-a22b-2db21ac3bb4a/v17 |
| ef:activity/change/20260821T1302361922970000/398742 | types | ef:agent/link_flows_to_their_substance | ef:flow/0cca2256-7078-4879-a22b-2db21ac3bb4a/v17 | ef:flow/0cca2256-7078-4879-a22b-2db21ac3bb4a/v18 |