1,1',1''-methanetriyltris(4-isocyanatobenzene)
Everything that changed this flow. Back to the flow
65be6905-46b2-4625-af4e-1dacef609be0
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 |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'JQ 1' (grade code) |
| cas_match_labels | 1 | consensus_match | group_key=1,1',1''-methanetriyltris(4-isocyanatobenzene)||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'2422-91-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ebe996a534d552dd: {'2422-91-5': '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, 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=['2422-91-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[75500, 802154]; selected_pubchem_cids=[75500]; 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 |
|---|---|---|---|---|---|
| 10,284 | bootstrap_labels | prefLabel | — | [{"@value":"1,1',1''-methanetriyltris(4-isocyanatobenzene)","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap… | Bootstrapped prefLabel from legacy name field |
| 10,285 | bootstrap_labels | name | 1,1',1''-methanetriyltris(4-isocyanatobenzene) | — | Purged legacy name field to enforce prefLabel usage |
| 10,286 | bootstrap_labels | synonyms | ["organic","methylidynetri-p-phenylenetriisocyanate","desmodurre"] | [] | Removed legacy synonyms field in favor of structured labels |
| 110,392 | 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 |
| 110,393 | 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 |
| 216,757 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 236,990 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H13N3O3… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 236,991 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 236,992 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J202.895F","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['2422-91-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[75500, 802154]; selected_pubchem_cids=[75500]; 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 |
| 251,139 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H13N3O3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H13N3O3… | rdkit_pre_consensus from 'C1=CC(=CC=C1C(C2=CC=C(C=C2)N=C=O)C3=CC=C(C=C3)N=C=O)N=C=O'; added: molecular_mass, monoisotopic_mass |
| 257,996 | consensus_match | altLabel | [] | [{"@value":"1,1′,1′′-Methylidynetris[4-isocyanatobenzene]","@language":"en","source":{"prov:wasGeneratedBy":"consensus_… | group_key=1,1',1''-methanetriyltris(4-isocyanatobenzene)||dimension=Environmental > media=Ground > geography=Non-agricultural; cas=2422-91-5; added Common Chemistry CAS names as altLabel: 1,1′,1′′-Methylidynetris[4-isocyanatobenzene], 1-[Bis(4-isocyanatophenyl)methyl]-4-isocyanatobenzene, 4,4′,4′′-Triisocyanatotriphenylmethane, 4,4′,4′′-Triphenylmethane triisocyanate, Benzene, 1,1′,1′′-methylidynetris[4-isocyanato-, Isocyanic acid, methylidynetri-<em>p</em>-phenylene ester, JQ 1, Methane, tris(<em>p</em>-isocyanatophenyl)-, Methylidynetri-<em>p</em>-phenylene isocyanate, TTI, Triphenylmethane-4,4′,4′′-triyl triisocyanate, Tris(4-isocyanatophenyl)methane, Tris(<em>p</em>-isocyanatophenyl)methane; object_uuid=fo-ebe996a534d552dd |
| 257,997 | consensus_match | cas_match_labels | — | {"2422-91-5":"exactMatch"} | group_key=1,1',1''-methanetriyltris(4-isocyanatobenzene)||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'2422-91-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ebe996a534d552dd: {'2422-91-5': 'exactMatch'} |
| 276,339 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H13N3O3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H13N3O3… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1,1',1''-methanetriyltris(4-isocyanatobenzene)' |
| 282,932 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H13N3O3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H13N3O3… | rdkit_post_consensus from 'O=C=Nc1ccc(C(c2ccc(N=C=O)cc2)c2ccc(N=C=O)cc2)cc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,416 | strip_catalogue_altlabels | altLabel | [{"@value":"1,1′,1′′-Methylidynetris[4-isocyanatobenzene]","@language":"en","source":{"prov:wasGeneratedBy":"consensus_… | [{"@value":"1,1′,1′′-Methylidynetris[4-isocyanatobenzene]","@language":"en","source":{"prov:wasGeneratedBy":"consensus_… | Removed 1 catalogue altLabel value(s): 'JQ 1' (grade code) |
| 336,217 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/65be6905-46b2-… | associations resolved on the elementary layer |
| 390,688 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H13N3O3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H13N3O3… | typed the way the ontology types it |
| 398,404 | 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/20260820T1555490862250000/10284 | prefLabel | ef:agent/bootstrap_labels | ef:flow/65be6905-46b2-4625-af4e-1dacef609be0/v0 | ef:flow/65be6905-46b2-4625-af4e-1dacef609be0/v1 |
| ef:activity/change/20260820T1555490862250000/10285 | name | ef:agent/bootstrap_labels | ef:flow/65be6905-46b2-4625-af4e-1dacef609be0/v1 | ef:flow/65be6905-46b2-4625-af4e-1dacef609be0/v2 |
| ef:activity/change/20260820T1555490862250000/10286 | synonyms | ef:agent/bootstrap_labels | ef:flow/65be6905-46b2-4625-af4e-1dacef609be0/v2 | ef:flow/65be6905-46b2-4625-af4e-1dacef609be0/v3 |
| ef:activity/change/20260820T1555490862250000/110392 | context | ef:agent/default_context_mapping | ef:flow/65be6905-46b2-4625-af4e-1dacef609be0/v3 | ef:flow/65be6905-46b2-4625-af4e-1dacef609be0/v4 |
| ef:activity/change/20260820T1555490862250000/110393 | context_iri | ef:agent/default_context_mapping | ef:flow/65be6905-46b2-4625-af4e-1dacef609be0/v4 | ef:flow/65be6905-46b2-4625-af4e-1dacef609be0/v5 |
| ef:activity/change/20260820T1555490862250000/216757 | unit_iri | ef:agent/unit_normalization | ef:flow/65be6905-46b2-4625-af4e-1dacef609be0/v5 | ef:flow/65be6905-46b2-4625-af4e-1dacef609be0/v6 |
| ef:activity/change/20260820T1555490862250000/236990 | properties | ef:agent/enrich_references | ef:flow/65be6905-46b2-4625-af4e-1dacef609be0/v6 | ef:flow/65be6905-46b2-4625-af4e-1dacef609be0/v7 |
| ef:activity/change/20260820T1555490862250000/236991 | skos_definition | ef:agent/enrich_references | ef:flow/65be6905-46b2-4625-af4e-1dacef609be0/v7 | ef:flow/65be6905-46b2-4625-af4e-1dacef609be0/v8 |
| ef:activity/change/20260820T1555490862250000/236992 | references | ef:agent/enrich_references | ef:flow/65be6905-46b2-4625-af4e-1dacef609be0/v8 | ef:flow/65be6905-46b2-4625-af4e-1dacef609be0/v9 |
| ef:activity/change/20260820T1555490862250000/251139 | properties | ef:agent/rdkit_pre_consensus | ef:flow/65be6905-46b2-4625-af4e-1dacef609be0/v9 | ef:flow/65be6905-46b2-4625-af4e-1dacef609be0/v10 |
| ef:activity/change/20260820T1555490862250000/257996 | altLabel | ef:agent/consensus_match | ef:flow/65be6905-46b2-4625-af4e-1dacef609be0/v10 | ef:flow/65be6905-46b2-4625-af4e-1dacef609be0/v11 |
| ef:activity/change/20260820T1555490862250000/257997 | cas_match_labels | ef:agent/consensus_match | ef:flow/65be6905-46b2-4625-af4e-1dacef609be0/v11 | ef:flow/65be6905-46b2-4625-af4e-1dacef609be0/v12 |
| ef:activity/change/20260820T1555490862250000/276339 | properties | ef:agent/opsin_iupac | ef:flow/65be6905-46b2-4625-af4e-1dacef609be0/v12 | ef:flow/65be6905-46b2-4625-af4e-1dacef609be0/v13 |
| ef:activity/change/20260820T1555490862250000/282932 | properties | ef:agent/rdkit_post_consensus | ef:flow/65be6905-46b2-4625-af4e-1dacef609be0/v13 | ef:flow/65be6905-46b2-4625-af4e-1dacef609be0/v14 |
| ef:activity/change/20260820T1555490862250000/289416 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/65be6905-46b2-4625-af4e-1dacef609be0/v14 | ef:flow/65be6905-46b2-4625-af4e-1dacef609be0/v15 |
| ef:activity/change/20260820T1555490862250000/336217 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/65be6905-46b2-4625-af4e-1dacef609be0/v15 | ef:flow/65be6905-46b2-4625-af4e-1dacef609be0/v16 |
| ef:activity/change/20260820T1555490862250000/390688 | properties | ef:agent/normalise_property_values | ef:flow/65be6905-46b2-4625-af4e-1dacef609be0/v16 | ef:flow/65be6905-46b2-4625-af4e-1dacef609be0/v17 |
| ef:activity/change/20260820T1555490862250000/398404 | types | ef:agent/link_flows_to_their_substance | ef:flow/65be6905-46b2-4625-af4e-1dacef609be0/v17 | ef:flow/65be6905-46b2-4625-af4e-1dacef609be0/v18 |