3,3'-dimethoxybiphenyl-4,4'-diisocyanate
Everything that changed this flow. Back to the flow
e2fb52d3-6555-11dd-ad8b-0800200c9a66
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): 'NSC 5040' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=3,3'-dimethoxybiphenyl-4,4'-diisocyanate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'pubchem']; cas_sources={'91-93-0': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-0e011eacbf70b3bd: {'91-93-0': '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 lower stratosphere and upper troposphere |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 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=['91-93-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_82451']; candidate_pubchem_cids=[7069, 243082]; selected_pubchem_cids=[7069]; 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 |
|---|---|---|---|---|---|
| 7,783 | bootstrap_labels | prefLabel | — | [{"@value":"3,3'-dimethoxybiphenyl-4,4'-diisocyanate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_label… | Bootstrapped prefLabel from legacy name field |
| 7,784 | bootstrap_labels | name | 3,3'-dimethoxybiphenyl-4,4'-diisocyanate | — | Purged legacy name field to enforce prefLabel usage |
| 7,785 | bootstrap_labels | synonyms | ["1,1'-Biphenyl, 4,4'-diisocyanato-3,3'-dimethoxy-","1,1'-Biphenyl, 4,4'-diisocyanato-3,3'-dimethoxy- (9CI)","1-isocyan… | [] | Removed legacy synonyms field in favor of structured labels |
| 185,604 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Aircraft cruise height"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 185,605 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-aicrhe | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 215,936 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 234,630 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H12N2O4… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 234,631 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 234,632 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J36.791E","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['91-93-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_82451']; candidate_pubchem_cids=[7069, 243082]; selected_pubchem_cids=[7069]; 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 |
| 250,453 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H12N2O4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H12N2O4… | rdkit_pre_consensus from 'COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=C=O)OC)N=C=O'; added: monoisotopic_mass |
| 261,441 | consensus_match | altLabel | [] | [{"@value":"1,1′-Biphenyl, 4,4′-diisocyanato-3,3′-dimethoxy-","@language":"en","source":{"prov:wasGeneratedBy":"consens… | group_key=3,3'-dimethoxybiphenyl-4,4'-diisocyanate||dimension=Environmental > media=Water > water_body=Unknown; cas=91-93-0; added Common Chemistry CAS names as altLabel: 1,1′-Biphenyl, 4,4′-diisocyanato-3,3′-dimethoxy-, 3,3′-Dimethoxy-4,4′-biphenyl diisocyanate, 3,3′-Dimethoxy-4,4′-biphenylene diisocyanate, 3,3′-Dimethoxy-4,4′-biphenylylene diisocyanate, 3,3′-Dimethoxy-4,4′-biphenylylene isocyanate, 3,3′-Dimethoxydiphenyl-4,4′-diisocyanate, 4,4′-Diisocyanato-3,3′-dimethoxy-1,1′-biphenyl, 4,4′-Diisocyanato-3,3′-dimethoxybiphenyl, 4,4′-Diisocyanato-3,3′-methoxybiphenyl, Biphenyl, 4,4′-diisocyanato-3,3′-dimethoxy-, Isocyanic acid, 3,3′-dimethoxy-4,4′-biphenylylene ester, NSC 5040; object_uuid=fo-0e011eacbf70b3bd |
| 261,442 | consensus_match | cas_match_labels | — | {"91-93-0":"exactMatch"} | group_key=3,3'-dimethoxybiphenyl-4,4'-diisocyanate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'pubchem']; cas_sources={'91-93-0': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-0e011eacbf70b3bd: {'91-93-0': 'exactMatch'} |
| 275,621 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H12N2O4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H12N2O4… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1,1′-Biphenyl, 4,4′-diisocyanato-3,3′-dimethoxy-' |
| 282,157 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H12N2O4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H12N2O4… | rdkit_post_consensus from 'COc1cc(-c2ccc(N=C=O)c(OC)c2)ccc1N=C=O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,860 | strip_catalogue_altlabels | altLabel | [{"@value":"1,1′-Biphenyl, 4,4′-diisocyanato-3,3′-dimethoxy-","@language":"en","source":{"prov:wasGeneratedBy":"consens… | [{"@value":"1,1′-Biphenyl, 4,4′-diisocyanato-3,3′-dimethoxy-","@language":"en","source":{"prov:wasGeneratedBy":"consens… | Removed 1 catalogue altLabel value(s): 'NSC 5040' (registry code) |
| 373,829 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/e2fb52d3-6555-… | associations resolved on the elementary layer |
| 389,945 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H12N2O4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H12N2O4… | typed the way the ontology types it |
| 397,344 | 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/20260821T1554374006150000/7783 | prefLabel | ef:agent/bootstrap_labels | ef:flow/e2fb52d3-6555-11dd-ad8b-0800200c9a66/v0 | ef:flow/e2fb52d3-6555-11dd-ad8b-0800200c9a66/v1 |
| ef:activity/change/20260821T1554374006150000/7784 | name | ef:agent/bootstrap_labels | ef:flow/e2fb52d3-6555-11dd-ad8b-0800200c9a66/v1 | ef:flow/e2fb52d3-6555-11dd-ad8b-0800200c9a66/v2 |
| ef:activity/change/20260821T1554374006150000/7785 | synonyms | ef:agent/bootstrap_labels | ef:flow/e2fb52d3-6555-11dd-ad8b-0800200c9a66/v2 | ef:flow/e2fb52d3-6555-11dd-ad8b-0800200c9a66/v3 |
| ef:activity/change/20260821T1554374006150000/185604 | context | ef:agent/default_context_mapping | ef:flow/e2fb52d3-6555-11dd-ad8b-0800200c9a66/v3 | ef:flow/e2fb52d3-6555-11dd-ad8b-0800200c9a66/v4 |
| ef:activity/change/20260821T1554374006150000/185605 | context_iri | ef:agent/default_context_mapping | ef:flow/e2fb52d3-6555-11dd-ad8b-0800200c9a66/v4 | ef:flow/e2fb52d3-6555-11dd-ad8b-0800200c9a66/v5 |
| ef:activity/change/20260821T1554374006150000/215936 | unit_iri | ef:agent/unit_normalization | ef:flow/e2fb52d3-6555-11dd-ad8b-0800200c9a66/v5 | ef:flow/e2fb52d3-6555-11dd-ad8b-0800200c9a66/v6 |
| ef:activity/change/20260821T1554374006150000/234630 | properties | ef:agent/enrich_references | ef:flow/e2fb52d3-6555-11dd-ad8b-0800200c9a66/v6 | ef:flow/e2fb52d3-6555-11dd-ad8b-0800200c9a66/v7 |
| ef:activity/change/20260821T1554374006150000/234631 | skos_definition | ef:agent/enrich_references | ef:flow/e2fb52d3-6555-11dd-ad8b-0800200c9a66/v7 | ef:flow/e2fb52d3-6555-11dd-ad8b-0800200c9a66/v8 |
| ef:activity/change/20260821T1554374006150000/234632 | references | ef:agent/enrich_references | ef:flow/e2fb52d3-6555-11dd-ad8b-0800200c9a66/v8 | ef:flow/e2fb52d3-6555-11dd-ad8b-0800200c9a66/v9 |
| ef:activity/change/20260821T1554374006150000/250453 | properties | ef:agent/rdkit_pre_consensus | ef:flow/e2fb52d3-6555-11dd-ad8b-0800200c9a66/v9 | ef:flow/e2fb52d3-6555-11dd-ad8b-0800200c9a66/v10 |
| ef:activity/change/20260821T1554374006150000/261441 | altLabel | ef:agent/consensus_match | ef:flow/e2fb52d3-6555-11dd-ad8b-0800200c9a66/v10 | ef:flow/e2fb52d3-6555-11dd-ad8b-0800200c9a66/v11 |
| ef:activity/change/20260821T1554374006150000/261442 | cas_match_labels | ef:agent/consensus_match | ef:flow/e2fb52d3-6555-11dd-ad8b-0800200c9a66/v11 | ef:flow/e2fb52d3-6555-11dd-ad8b-0800200c9a66/v12 |
| ef:activity/change/20260821T1554374006150000/275621 | properties | ef:agent/opsin_iupac | ef:flow/e2fb52d3-6555-11dd-ad8b-0800200c9a66/v12 | ef:flow/e2fb52d3-6555-11dd-ad8b-0800200c9a66/v13 |
| ef:activity/change/20260821T1554374006150000/282157 | properties | ef:agent/rdkit_post_consensus | ef:flow/e2fb52d3-6555-11dd-ad8b-0800200c9a66/v13 | ef:flow/e2fb52d3-6555-11dd-ad8b-0800200c9a66/v14 |
| ef:activity/change/20260821T1554374006150000/288860 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/e2fb52d3-6555-11dd-ad8b-0800200c9a66/v14 | ef:flow/e2fb52d3-6555-11dd-ad8b-0800200c9a66/v15 |
| ef:activity/change/20260821T1554374006150000/373829 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/e2fb52d3-6555-11dd-ad8b-0800200c9a66/v15 | ef:flow/e2fb52d3-6555-11dd-ad8b-0800200c9a66/v16 |
| ef:activity/change/20260821T1554374006150000/389945 | properties | ef:agent/normalise_property_values | ef:flow/e2fb52d3-6555-11dd-ad8b-0800200c9a66/v16 | ef:flow/e2fb52d3-6555-11dd-ad8b-0800200c9a66/v17 |
| ef:activity/change/20260821T1554374006150000/397344 | types | ef:agent/link_flows_to_their_substance | ef:flow/e2fb52d3-6555-11dd-ad8b-0800200c9a66/v17 | ef:flow/e2fb52d3-6555-11dd-ad8b-0800200c9a66/v18 |