Phenyl isocyanate
Everything that changed this flow. Back to the flow
0f2d5ae1-6677-42d4-a0cb-9c1c3e2ce501
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 | 4 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 74454' (registry code) |
| prefLabel | 3 | bootstrap_labels, consensus_match, normalize_name_case | cas=103-71-9; cc_chebi_agreed_name='Phenyl isocyanate'; object_uuid=fo-a6c63fd86479ac04 |
| cas_match_labels | 1 | consensus_match | group_key=isocyanatobenzene||dimension=Environmental > media=Air > strata=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'103-71-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a6c63fd86479ac04: {'103-71-9': '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 soil, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['103-71-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_53806']; candidate_pubchem_cids=[5993, 7672]; selected_pubchem_cids=[7672]; 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
22| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 2,976 | bootstrap_labels | prefLabel | — | [{"@value":"isocyanatobenzene","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedT… | Bootstrapped prefLabel from legacy name field |
| 2,977 | bootstrap_labels | name | isocyanatobenzene | — | Purged legacy name field to enforce prefLabel usage |
| 2,978 | bootstrap_labels | synonyms | ["organic","phenylisocyanate","benzene,isocyanato-","isocyanatobenzene","isocyanicacid,phenylester","isocyansaeurepheny… | [] | Removed legacy synonyms field in favor of structured labels |
| 46,309 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 46,310 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 214,335 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,773 | normalize_name_case | prefLabel | [{"@value":"isocyanatobenzene","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedT… | [{"@value":"Isocyanatobenzene","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedT… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 230,043 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5NO"],"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 230,044 | enrich_references | skos_definition | — | [{"@value":"An isocyanate composed of a benzene ring bearing a single isocyanato substituent.","@language":"en","proven… | Merged ChEBI/PubChem definitions into skos:definition |
| 230,045 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.018K","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['103-71-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_53806']; candidate_pubchem_cids=[5993, 7672]; selected_pubchem_cids=[7672]; 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 |
| 249,148 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5NO"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5NO"],"… | rdkit_pre_consensus from 'C1=CC=C(C=C1)N=C=O'; added: monoisotopic_mass |
| 254,722 | chebi_altlabels | altLabel | [] | [{"@value":"Carbanil","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consen… | Added 8 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 268,085 | consensus_match | prefLabel | [{"@value":"Isocyanatobenzene","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedT… | [{"@value":"Phenyl isocyanate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo… | cas=103-71-9; cc_chebi_agreed_name='Phenyl isocyanate'; object_uuid=fo-a6c63fd86479ac04 |
| 268,086 | consensus_match | altLabel | [{"@value":"Carbanil","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consen… | [{"@value":"Carbanil","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consen… | cas=103-71-9; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-a6c63fd86479ac04 |
| 268,087 | consensus_match | altLabel | [{"@value":"Carbanil","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consen… | [{"@value":"Carbanil","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consen… | group_key=isocyanatobenzene||dimension=Environmental > media=Air > strata=Long-term; cas=103-71-9; added Common Chemistry CAS names as altLabel: Benzene, isocyanato-, Mondur P, NSC 74454; object_uuid=fo-a6c63fd86479ac04 |
| 268,088 | consensus_match | cas_match_labels | — | {"103-71-9":"exactMatch"} | group_key=isocyanatobenzene||dimension=Environmental > media=Air > strata=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'103-71-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a6c63fd86479ac04: {'103-71-9': 'exactMatch'} |
| 274,263 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5NO"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5NO"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Phenyl isocyanate' |
| 280,692 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5NO"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5NO"],"… | rdkit_post_consensus from 'O=C=Nc1ccccc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,850 | strip_catalogue_altlabels | altLabel | [{"@value":"Carbanil","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consen… | [{"@value":"Carbanil","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consen… | Removed 1 catalogue altLabel value(s): 'NSC 74454' (registry code) |
| 304,220 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/0f2d5ae1-6677-… | associations resolved on the elementary layer |
| 388,584 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5NO"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5NO"],"… | typed the way the ontology types it |
| 395,368 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
22 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/20260920T1042228874600000/2976 | prefLabel | ef:agent/bootstrap_labels | ef:flow/0f2d5ae1-6677-42d4-a0cb-9c1c3e2ce501/v0 | ef:flow/0f2d5ae1-6677-42d4-a0cb-9c1c3e2ce501/v1 |
| ef:activity/change/20260920T1042228874600000/2977 | name | ef:agent/bootstrap_labels | ef:flow/0f2d5ae1-6677-42d4-a0cb-9c1c3e2ce501/v1 | ef:flow/0f2d5ae1-6677-42d4-a0cb-9c1c3e2ce501/v2 |
| ef:activity/change/20260920T1042228874600000/2978 | synonyms | ef:agent/bootstrap_labels | ef:flow/0f2d5ae1-6677-42d4-a0cb-9c1c3e2ce501/v2 | ef:flow/0f2d5ae1-6677-42d4-a0cb-9c1c3e2ce501/v3 |
| ef:activity/change/20260920T1042228874600000/46309 | context | ef:agent/default_context_mapping | ef:flow/0f2d5ae1-6677-42d4-a0cb-9c1c3e2ce501/v3 | ef:flow/0f2d5ae1-6677-42d4-a0cb-9c1c3e2ce501/v4 |
| ef:activity/change/20260920T1042228874600000/46310 | context_iri | ef:agent/default_context_mapping | ef:flow/0f2d5ae1-6677-42d4-a0cb-9c1c3e2ce501/v4 | ef:flow/0f2d5ae1-6677-42d4-a0cb-9c1c3e2ce501/v5 |
| ef:activity/change/20260920T1042228874600000/214335 | unit_iri | ef:agent/unit_normalization | ef:flow/0f2d5ae1-6677-42d4-a0cb-9c1c3e2ce501/v5 | ef:flow/0f2d5ae1-6677-42d4-a0cb-9c1c3e2ce501/v6 |
| ef:activity/change/20260920T1042228874600000/221773 | prefLabel | ef:agent/normalize_name_case | ef:flow/0f2d5ae1-6677-42d4-a0cb-9c1c3e2ce501/v6 | ef:flow/0f2d5ae1-6677-42d4-a0cb-9c1c3e2ce501/v7 |
| ef:activity/change/20260920T1042228874600000/230043 | properties | ef:agent/enrich_references | ef:flow/0f2d5ae1-6677-42d4-a0cb-9c1c3e2ce501/v7 | ef:flow/0f2d5ae1-6677-42d4-a0cb-9c1c3e2ce501/v8 |
| ef:activity/change/20260920T1042228874600000/230044 | skos_definition | ef:agent/enrich_references | ef:flow/0f2d5ae1-6677-42d4-a0cb-9c1c3e2ce501/v8 | ef:flow/0f2d5ae1-6677-42d4-a0cb-9c1c3e2ce501/v9 |
| ef:activity/change/20260920T1042228874600000/230045 | references | ef:agent/enrich_references | ef:flow/0f2d5ae1-6677-42d4-a0cb-9c1c3e2ce501/v9 | ef:flow/0f2d5ae1-6677-42d4-a0cb-9c1c3e2ce501/v10 |
| ef:activity/change/20260920T1042228874600000/249148 | properties | ef:agent/rdkit_pre_consensus | ef:flow/0f2d5ae1-6677-42d4-a0cb-9c1c3e2ce501/v10 | ef:flow/0f2d5ae1-6677-42d4-a0cb-9c1c3e2ce501/v11 |
| ef:activity/change/20260920T1042228874600000/254722 | altLabel | ef:agent/chebi_altlabels | ef:flow/0f2d5ae1-6677-42d4-a0cb-9c1c3e2ce501/v11 | ef:flow/0f2d5ae1-6677-42d4-a0cb-9c1c3e2ce501/v12 |
| ef:activity/change/20260920T1042228874600000/268085 | prefLabel | ef:agent/consensus_match | ef:flow/0f2d5ae1-6677-42d4-a0cb-9c1c3e2ce501/v12 | ef:flow/0f2d5ae1-6677-42d4-a0cb-9c1c3e2ce501/v13 |
| ef:activity/change/20260920T1042228874600000/268086 | altLabel | ef:agent/consensus_match | ef:flow/0f2d5ae1-6677-42d4-a0cb-9c1c3e2ce501/v13 | ef:flow/0f2d5ae1-6677-42d4-a0cb-9c1c3e2ce501/v14 |
| ef:activity/change/20260920T1042228874600000/268087 | altLabel | ef:agent/consensus_match | ef:flow/0f2d5ae1-6677-42d4-a0cb-9c1c3e2ce501/v14 | ef:flow/0f2d5ae1-6677-42d4-a0cb-9c1c3e2ce501/v15 |
| ef:activity/change/20260920T1042228874600000/268088 | cas_match_labels | ef:agent/consensus_match | ef:flow/0f2d5ae1-6677-42d4-a0cb-9c1c3e2ce501/v15 | ef:flow/0f2d5ae1-6677-42d4-a0cb-9c1c3e2ce501/v16 |
| ef:activity/change/20260920T1042228874600000/274263 | properties | ef:agent/opsin_iupac | ef:flow/0f2d5ae1-6677-42d4-a0cb-9c1c3e2ce501/v16 | ef:flow/0f2d5ae1-6677-42d4-a0cb-9c1c3e2ce501/v17 |
| ef:activity/change/20260920T1042228874600000/280692 | properties | ef:agent/rdkit_post_consensus | ef:flow/0f2d5ae1-6677-42d4-a0cb-9c1c3e2ce501/v17 | ef:flow/0f2d5ae1-6677-42d4-a0cb-9c1c3e2ce501/v18 |
| ef:activity/change/20260920T1042228874600000/287850 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/0f2d5ae1-6677-42d4-a0cb-9c1c3e2ce501/v18 | ef:flow/0f2d5ae1-6677-42d4-a0cb-9c1c3e2ce501/v19 |
| ef:activity/change/20260920T1042228874600000/304220 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/0f2d5ae1-6677-42d4-a0cb-9c1c3e2ce501/v19 | ef:flow/0f2d5ae1-6677-42d4-a0cb-9c1c3e2ce501/v20 |
| ef:activity/change/20260920T1042228874600000/388584 | properties | ef:agent/normalise_property_values | ef:flow/0f2d5ae1-6677-42d4-a0cb-9c1c3e2ce501/v20 | ef:flow/0f2d5ae1-6677-42d4-a0cb-9c1c3e2ce501/v21 |
| ef:activity/change/20260920T1042228874600000/395368 | types | ef:agent/link_flows_to_their_substance | ef:flow/0f2d5ae1-6677-42d4-a0cb-9c1c3e2ce501/v21 | ef:flow/0f2d5ae1-6677-42d4-a0cb-9c1c3e2ce501/v22 |