5,5'-dimethoxy-3,3'-di-tert.-butyl-1,1'-biphenyl-2,2'-diol
Everything that changed this flow. Back to the flow
a6046689-59ab-48bf-b078-1632b2c3b481
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=5,5'-dimethoxy-3,3'-di-tert.-butyl-1,1'-biphenyl-2,2'-diol||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['pubchem']; cas_sources={'14078-41-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-685796e7f5acb04b: {'14078-41-2': '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 non-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 non-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=['14078-41-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[10386, 119234]; selected_pubchem_cids=[119234]; 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 |
|---|---|---|---|---|---|
| 11,754 | bootstrap_labels | prefLabel | — | [{"@value":"5,5'-dimethoxy-3,3'-di-tert.-butyl-1,1'-biphenyl-2,2'-diol","@language":"en","source":{"prov:wasGeneratedBy… | Bootstrapped prefLabel from legacy name field |
| 11,755 | bootstrap_labels | name | 5,5'-dimethoxy-3,3'-di-tert.-butyl-1,1'-biphenyl-2,2'-diol | — | Purged legacy name field to enforce prefLabel usage |
| 11,756 | bootstrap_labels | synonyms | ["organic","[1,1'","-biphenyl]-2,2'","-diol,3,3'","-bis(1,1-dimethylethyl)-5,5'","-dimethoxy-othernames… | [] | Removed legacy synonyms field in favor of structured labels |
| 148,594 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Non-agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 148,595 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-noag | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 217,237 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 238,371 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H30O4"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 238,372 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 238,373 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J392.984A","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['14078-41-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[10386, 119234]; selected_pubchem_cids=[119234]; 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 |
| 251,533 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H30O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H30O4"]… | rdkit_pre_consensus from 'CC(C)(C)C1=CC(=CC(=C1O)C2=C(C(=CC(=C2)OC)C(C)(C)C)O)OC'; added: molecular_mass, monoisotopic_mass |
| 262,978 | consensus_match | altLabel | [] | [{"@value":"2,2′-Biphenyldiol, 3,3′-di-<em>tert</em>-butyl-5,5′-dimethoxy-","@language":"en","source":{"prov:wasGenerat… | group_key=5,5'-dimethoxy-3,3'-di-tert.-butyl-1,1'-biphenyl-2,2'-diol||dimension=Environmental > media=Water > water_body=Surface water; cas=14078-41-2; added Common Chemistry CAS names as altLabel: 2,2′-Biphenyldiol, 3,3′-di-<em>tert</em>-butyl-5,5′-dimethoxy-, 2,2′-Dihydroxy-3,3′-di-<em>tert</em>-butyl-5,5′-dimethoxy-1,1′-biphenyl, 2,2′-Dihydroxy-3,3′-di-<em>tert</em>-butyl-5,5′-dimethoxydiphenyl, 2,2′-Dihydroxy-5,5′-dimethoxy-3,3′-di-<em>tert</em>-butylbiphenyl, 2-<em>tert</em>-Butyl-6-(3-<em>tert</em>-butyl-2-hydroxy-5-methoxyphenyl)-4-methoxyphenol, 3,3′-Bis(1,1-dimethylethyl)-5,5′-dimethoxy[1,1′-biphenyl]-2,2′-diol, 3,3′-Bis(<em>tert</em>-butyl)-5,5′-dimethoxybiphenyl-2,2′-diol, 3,3′-Di-<em>tert</em>-butyl-2,2′-dihydroxy-5,5′-dimethoxy-1,1′-biphenyl, 3,3′-Di-<em>tert</em>-butyl-2,2′-dihydroxy-5,5′-dimethoxybiphenyl, 3,3′-Di-<em>tert</em>-butyl-2,2′-dihydroxy-5,5′-dimethoxydiphenyl, 3,3′-Di-<em>tert</em>-butyl-5,5′-dimethoxy-1,1′-biphenyl-2,2′-diol, 3,3′-Di-<em>tert</em>-butyl-5,5′-dimethoxybiphenyl-2,2′-diol, 5,5′-Dimethoxy-3,3′-di-<em>tert</em>-butylbiphenyl-2,2′-diol, 6,6′-Di(<em>tert</em>-butyl)-4,4′-dimethoxy-2,2′-biphenol, <em>o</em>,<em>o</em>′-Biphenol, 6,6′-di-<em>tert</em>-butyl-4,4′-dimethoxy-, [1,1′-Biphenyl]-2,2′-diol, 3,3′-bis(1,1-dimethylethyl)-5,5′-dimethoxy-; object_uuid=fo-685796e7f5acb04b |
| 262,979 | consensus_match | cas_match_labels | — | {"14078-41-2":"exactMatch"} | group_key=5,5'-dimethoxy-3,3'-di-tert.-butyl-1,1'-biphenyl-2,2'-diol||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['pubchem']; cas_sources={'14078-41-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-685796e7f5acb04b: {'14078-41-2': 'exactMatch'} |
| 276,716 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H30O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H30O4"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '5,5'-dimethoxy-3,3'-di-tert.-butyl-1,1'-biphenyl-2,2'-diol' |
| 283,347 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H30O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H30O4"]… | rdkit_post_consensus from 'COc1cc(-c2cc(OC)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,593 | dedupe_altlabels | altLabel | [{"@value":"2,2′-Biphenyldiol, 3,3′-di-<em>tert</em>-butyl-5,5′-dimethoxy-","@language":"en","source":{"prov:wasGenerat… | [{"@value":"2,2′-Biphenyldiol, 3,3′-di-tert-butyl-5,5′-dimethoxy-","@language":"en","source":{"prov:wasGeneratedBy":"co… | Deduplicated altLabel values and removed entries matching prefLabel |
| 355,319 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/a6046689-59ab-… | associations resolved on the elementary layer |
| 391,073 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H30O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H30O4"]… | typed the way the ontology types it |
| 398,948 | 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/20260821T1302361922970000/11754 | prefLabel | ef:agent/bootstrap_labels | ef:flow/a6046689-59ab-48bf-b078-1632b2c3b481/v0 | ef:flow/a6046689-59ab-48bf-b078-1632b2c3b481/v1 |
| ef:activity/change/20260821T1302361922970000/11755 | name | ef:agent/bootstrap_labels | ef:flow/a6046689-59ab-48bf-b078-1632b2c3b481/v1 | ef:flow/a6046689-59ab-48bf-b078-1632b2c3b481/v2 |
| ef:activity/change/20260821T1302361922970000/11756 | synonyms | ef:agent/bootstrap_labels | ef:flow/a6046689-59ab-48bf-b078-1632b2c3b481/v2 | ef:flow/a6046689-59ab-48bf-b078-1632b2c3b481/v3 |
| ef:activity/change/20260821T1302361922970000/148594 | context | ef:agent/default_context_mapping | ef:flow/a6046689-59ab-48bf-b078-1632b2c3b481/v3 | ef:flow/a6046689-59ab-48bf-b078-1632b2c3b481/v4 |
| ef:activity/change/20260821T1302361922970000/148595 | context_iri | ef:agent/default_context_mapping | ef:flow/a6046689-59ab-48bf-b078-1632b2c3b481/v4 | ef:flow/a6046689-59ab-48bf-b078-1632b2c3b481/v5 |
| ef:activity/change/20260821T1302361922970000/217237 | unit_iri | ef:agent/unit_normalization | ef:flow/a6046689-59ab-48bf-b078-1632b2c3b481/v5 | ef:flow/a6046689-59ab-48bf-b078-1632b2c3b481/v6 |
| ef:activity/change/20260821T1302361922970000/238371 | properties | ef:agent/enrich_references | ef:flow/a6046689-59ab-48bf-b078-1632b2c3b481/v6 | ef:flow/a6046689-59ab-48bf-b078-1632b2c3b481/v7 |
| ef:activity/change/20260821T1302361922970000/238372 | skos_definition | ef:agent/enrich_references | ef:flow/a6046689-59ab-48bf-b078-1632b2c3b481/v7 | ef:flow/a6046689-59ab-48bf-b078-1632b2c3b481/v8 |
| ef:activity/change/20260821T1302361922970000/238373 | references | ef:agent/enrich_references | ef:flow/a6046689-59ab-48bf-b078-1632b2c3b481/v8 | ef:flow/a6046689-59ab-48bf-b078-1632b2c3b481/v9 |
| ef:activity/change/20260821T1302361922970000/251533 | properties | ef:agent/rdkit_pre_consensus | ef:flow/a6046689-59ab-48bf-b078-1632b2c3b481/v9 | ef:flow/a6046689-59ab-48bf-b078-1632b2c3b481/v10 |
| ef:activity/change/20260821T1302361922970000/262978 | altLabel | ef:agent/consensus_match | ef:flow/a6046689-59ab-48bf-b078-1632b2c3b481/v10 | ef:flow/a6046689-59ab-48bf-b078-1632b2c3b481/v11 |
| ef:activity/change/20260821T1302361922970000/262979 | cas_match_labels | ef:agent/consensus_match | ef:flow/a6046689-59ab-48bf-b078-1632b2c3b481/v11 | ef:flow/a6046689-59ab-48bf-b078-1632b2c3b481/v12 |
| ef:activity/change/20260821T1302361922970000/276716 | properties | ef:agent/opsin_iupac | ef:flow/a6046689-59ab-48bf-b078-1632b2c3b481/v12 | ef:flow/a6046689-59ab-48bf-b078-1632b2c3b481/v13 |
| ef:activity/change/20260821T1302361922970000/283347 | properties | ef:agent/rdkit_post_consensus | ef:flow/a6046689-59ab-48bf-b078-1632b2c3b481/v13 | ef:flow/a6046689-59ab-48bf-b078-1632b2c3b481/v14 |
| ef:activity/change/20260821T1302361922970000/292593 | altLabel | ef:agent/dedupe_altlabels | ef:flow/a6046689-59ab-48bf-b078-1632b2c3b481/v14 | ef:flow/a6046689-59ab-48bf-b078-1632b2c3b481/v15 |
| ef:activity/change/20260821T1302361922970000/355319 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/a6046689-59ab-48bf-b078-1632b2c3b481/v15 | ef:flow/a6046689-59ab-48bf-b078-1632b2c3b481/v16 |
| ef:activity/change/20260821T1302361922970000/391073 | properties | ef:agent/normalise_property_values | ef:flow/a6046689-59ab-48bf-b078-1632b2c3b481/v16 | ef:flow/a6046689-59ab-48bf-b078-1632b2c3b481/v17 |
| ef:activity/change/20260821T1302361922970000/398948 | types | ef:agent/link_flows_to_their_substance | ef:flow/a6046689-59ab-48bf-b078-1632b2c3b481/v17 | ef:flow/a6046689-59ab-48bf-b078-1632b2c3b481/v18 |