1-isocyanato-3-methylbenzene
Everything that changed this flow. Back to the flow
998f1016-fa73-4737-93e2-6e14bcf6ef3f
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, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| cas_match_labels | 1 | consensus_match | group_key=1-isocyanato-3-methylbenzene||dimension=Environmental > media=Air > strata=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'621-29-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-dd76aefc5af8e420: {'621-29-4': '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 |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['621-29-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[69303, 224266]; selected_pubchem_cids=[69303]; 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 |
|---|---|---|---|---|---|
| 728 | bootstrap_labels | prefLabel | — | [{"@value":"1-isocyanato-3-methylbenzene","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:was… | Bootstrapped prefLabel from legacy name field |
| 729 | bootstrap_labels | name | 1-isocyanato-3-methylbenzene | — | Purged legacy name field to enforce prefLabel usage |
| 730 | bootstrap_labels | synonyms | ["organic","m-tolylisocyanate","3-methylphenylisocyanat"] | [] | Removed legacy synonyms field in favor of structured labels |
| 141,012 | 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 |
| 141,013 | 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 |
| 213,583 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 227,871 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NO"],"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 227,872 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 227,873 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J45.637C","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['621-29-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[69303, 224266]; selected_pubchem_cids=[69303]; 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 |
| 248,516 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NO"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NO"],"… | rdkit_pre_consensus from 'CC1=CC(=CC=C1)N=C=O'; added: molecular_mass, monoisotopic_mass |
| 259,202 | consensus_match | altLabel | [] | [{"@value":"3-Methylphenyl isocyanate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttr… | group_key=1-isocyanato-3-methylbenzene||dimension=Environmental > media=Air > strata=Long-term; cas=621-29-4; added Common Chemistry CAS names as altLabel: 3-Methylphenyl isocyanate, 3-Tolyl isocyanate, <em>m</em>-Isocyanatotoluene, <em>m</em>-Methylphenyl isocyanate, <em>m</em>-Tolyl isocyanate, Benzene, 1-isocyanato-3-methyl-, Isocyanic acid, <em>m</em>-tolyl ester; object_uuid=fo-dd76aefc5af8e420 |
| 259,203 | consensus_match | cas_match_labels | — | {"621-29-4":"exactMatch"} | group_key=1-isocyanato-3-methylbenzene||dimension=Environmental > media=Air > strata=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'621-29-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-dd76aefc5af8e420: {'621-29-4': 'exactMatch'} |
| 273,656 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NO"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NO"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1-isocyanato-3-methylbenzene' |
| 280,021 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NO"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NO"],"… | rdkit_post_consensus from 'Cc1cccc(N=C=O)c1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,009 | dedupe_altlabels | altLabel | [{"@value":"3-Methylphenyl isocyanate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttr… | [{"@value":"3-Methylphenyl isocyanate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttr… | Deduplicated altLabel values and removed entries matching prefLabel |
| 351,527 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/998f1016-fa73-… | associations resolved on the elementary layer |
| 387,933 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NO"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NO"],"… | typed the way the ontology types it |
| 394,475 | 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/20260820T1416470405690000/728 | prefLabel | ef:agent/bootstrap_labels | ef:flow/998f1016-fa73-4737-93e2-6e14bcf6ef3f/v0 | ef:flow/998f1016-fa73-4737-93e2-6e14bcf6ef3f/v1 |
| ef:activity/change/20260820T1416470405690000/729 | name | ef:agent/bootstrap_labels | ef:flow/998f1016-fa73-4737-93e2-6e14bcf6ef3f/v1 | ef:flow/998f1016-fa73-4737-93e2-6e14bcf6ef3f/v2 |
| ef:activity/change/20260820T1416470405690000/730 | synonyms | ef:agent/bootstrap_labels | ef:flow/998f1016-fa73-4737-93e2-6e14bcf6ef3f/v2 | ef:flow/998f1016-fa73-4737-93e2-6e14bcf6ef3f/v3 |
| ef:activity/change/20260820T1416470405690000/141012 | context | ef:agent/default_context_mapping | ef:flow/998f1016-fa73-4737-93e2-6e14bcf6ef3f/v3 | ef:flow/998f1016-fa73-4737-93e2-6e14bcf6ef3f/v4 |
| ef:activity/change/20260820T1416470405690000/141013 | context_iri | ef:agent/default_context_mapping | ef:flow/998f1016-fa73-4737-93e2-6e14bcf6ef3f/v4 | ef:flow/998f1016-fa73-4737-93e2-6e14bcf6ef3f/v5 |
| ef:activity/change/20260820T1416470405690000/213583 | unit_iri | ef:agent/unit_normalization | ef:flow/998f1016-fa73-4737-93e2-6e14bcf6ef3f/v5 | ef:flow/998f1016-fa73-4737-93e2-6e14bcf6ef3f/v6 |
| ef:activity/change/20260820T1416470405690000/227871 | properties | ef:agent/enrich_references | ef:flow/998f1016-fa73-4737-93e2-6e14bcf6ef3f/v6 | ef:flow/998f1016-fa73-4737-93e2-6e14bcf6ef3f/v7 |
| ef:activity/change/20260820T1416470405690000/227872 | skos_definition | ef:agent/enrich_references | ef:flow/998f1016-fa73-4737-93e2-6e14bcf6ef3f/v7 | ef:flow/998f1016-fa73-4737-93e2-6e14bcf6ef3f/v8 |
| ef:activity/change/20260820T1416470405690000/227873 | references | ef:agent/enrich_references | ef:flow/998f1016-fa73-4737-93e2-6e14bcf6ef3f/v8 | ef:flow/998f1016-fa73-4737-93e2-6e14bcf6ef3f/v9 |
| ef:activity/change/20260820T1416470405690000/248516 | properties | ef:agent/rdkit_pre_consensus | ef:flow/998f1016-fa73-4737-93e2-6e14bcf6ef3f/v9 | ef:flow/998f1016-fa73-4737-93e2-6e14bcf6ef3f/v10 |
| ef:activity/change/20260820T1416470405690000/259202 | altLabel | ef:agent/consensus_match | ef:flow/998f1016-fa73-4737-93e2-6e14bcf6ef3f/v10 | ef:flow/998f1016-fa73-4737-93e2-6e14bcf6ef3f/v11 |
| ef:activity/change/20260820T1416470405690000/259203 | cas_match_labels | ef:agent/consensus_match | ef:flow/998f1016-fa73-4737-93e2-6e14bcf6ef3f/v11 | ef:flow/998f1016-fa73-4737-93e2-6e14bcf6ef3f/v12 |
| ef:activity/change/20260820T1416470405690000/273656 | properties | ef:agent/opsin_iupac | ef:flow/998f1016-fa73-4737-93e2-6e14bcf6ef3f/v12 | ef:flow/998f1016-fa73-4737-93e2-6e14bcf6ef3f/v13 |
| ef:activity/change/20260820T1416470405690000/280021 | properties | ef:agent/rdkit_post_consensus | ef:flow/998f1016-fa73-4737-93e2-6e14bcf6ef3f/v13 | ef:flow/998f1016-fa73-4737-93e2-6e14bcf6ef3f/v14 |
| ef:activity/change/20260820T1416470405690000/292009 | altLabel | ef:agent/dedupe_altlabels | ef:flow/998f1016-fa73-4737-93e2-6e14bcf6ef3f/v14 | ef:flow/998f1016-fa73-4737-93e2-6e14bcf6ef3f/v15 |
| ef:activity/change/20260820T1416470405690000/351527 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/998f1016-fa73-4737-93e2-6e14bcf6ef3f/v15 | ef:flow/998f1016-fa73-4737-93e2-6e14bcf6ef3f/v16 |
| ef:activity/change/20260820T1416470405690000/387933 | properties | ef:agent/normalise_property_values | ef:flow/998f1016-fa73-4737-93e2-6e14bcf6ef3f/v16 | ef:flow/998f1016-fa73-4737-93e2-6e14bcf6ef3f/v17 |
| ef:activity/change/20260820T1416470405690000/394475 | types | ef:agent/link_flows_to_their_substance | ef:flow/998f1016-fa73-4737-93e2-6e14bcf6ef3f/v17 | ef:flow/998f1016-fa73-4737-93e2-6e14bcf6ef3f/v18 |