2,3,5-trimethylphenol
Everything that changed this flow. Back to the flow
1ec53725-8a34-471e-a330-b184c81aa302
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 | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 5296' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=2,3,5-trimethylphenol||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'697-82-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5bf9e465dff88a52: {'697-82-5': '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, unspecified (long-term) |
| 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 (long-term) |
| 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=['697-82-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_38570']; candidate_pubchem_cids=[12769, 24229518]; selected_pubchem_cids=[12769]; 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
19| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 10,892 | bootstrap_labels | prefLabel | — | [{"@value":"2,3,5-trimethylphenol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribu… | Bootstrapped prefLabel from legacy name field |
| 10,893 | bootstrap_labels | name | 2,3,5-trimethylphenol | — | Purged legacy name field to enforce prefLabel usage |
| 10,894 | bootstrap_labels | synonyms | ["1-Hydroxy-2,3,5-trimethylbenzene","6-HYDROXYPSEUDOCUMENE","AB1002027","AC-10653","AC1L20BJ","AC1Q2J6M","AKOS000274544… | [] | Removed legacy synonyms field in favor of structured labels |
| 56,516 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 56,517 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 216,951 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 237,544 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H12O"],"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 237,545 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 237,546 | enrich_references | references | [] | [{"@id":"beilstein:2042210","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":… | Added references with provenance; cas_numbers=['697-82-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_38570']; candidate_pubchem_cids=[12769, 24229518]; selected_pubchem_cids=[12769]; 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 |
| 251,290 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H12O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H12O"],"… | rdkit_pre_consensus from 'CC1=CC(=C(C(=C1)O)C)C'; added: monoisotopic_mass |
| 255,914 | chebi_altlabels | altLabel | [] | [{"@value":"1-Hydroxy-2,3,5-trimethylbenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:… | Added 2 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 259,735 | consensus_match | altLabel | [{"@value":"1-Hydroxy-2,3,5-trimethylbenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:… | [{"@value":"1-Hydroxy-2,3,5-trimethylbenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:… | group_key=2,3,5-trimethylphenol||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=697-82-5; added Common Chemistry CAS names as altLabel: 3,5,6-Trimethylphenol, 6-Hydroxypseudocumene, NSC 5296, Phenol, 2,3,5-trimethyl-; object_uuid=fo-5bf9e465dff88a52 |
| 259,736 | consensus_match | cas_match_labels | — | {"697-82-5":"exactMatch"} | group_key=2,3,5-trimethylphenol||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'697-82-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5bf9e465dff88a52: {'697-82-5': 'exactMatch'} |
| 276,475 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H12O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H12O"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2,3,5-trimethylphenol' |
| 283,083 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H12O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H12O"],"… | rdkit_post_consensus from 'Cc1cc(C)c(C)c(O)c1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,518 | strip_catalogue_altlabels | altLabel | [{"@value":"1-Hydroxy-2,3,5-trimethylbenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:… | [{"@value":"1-Hydroxy-2,3,5-trimethylbenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:… | Removed 1 catalogue altLabel value(s): 'NSC 5296' (registry code) |
| 309,285 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/1ec53725-8a34-… | associations resolved on the elementary layer |
| 390,830 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H12O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H12O"],"… | typed the way the ontology types it |
| 398,616 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
19 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/20260821T1302361922970000/10892 | prefLabel | ef:agent/bootstrap_labels | ef:flow/1ec53725-8a34-471e-a330-b184c81aa302/v0 | ef:flow/1ec53725-8a34-471e-a330-b184c81aa302/v1 |
| ef:activity/change/20260821T1302361922970000/10893 | name | ef:agent/bootstrap_labels | ef:flow/1ec53725-8a34-471e-a330-b184c81aa302/v1 | ef:flow/1ec53725-8a34-471e-a330-b184c81aa302/v2 |
| ef:activity/change/20260821T1302361922970000/10894 | synonyms | ef:agent/bootstrap_labels | ef:flow/1ec53725-8a34-471e-a330-b184c81aa302/v2 | ef:flow/1ec53725-8a34-471e-a330-b184c81aa302/v3 |
| ef:activity/change/20260821T1302361922970000/56516 | context | ef:agent/default_context_mapping | ef:flow/1ec53725-8a34-471e-a330-b184c81aa302/v3 | ef:flow/1ec53725-8a34-471e-a330-b184c81aa302/v4 |
| ef:activity/change/20260821T1302361922970000/56517 | context_iri | ef:agent/default_context_mapping | ef:flow/1ec53725-8a34-471e-a330-b184c81aa302/v4 | ef:flow/1ec53725-8a34-471e-a330-b184c81aa302/v5 |
| ef:activity/change/20260821T1302361922970000/216951 | unit_iri | ef:agent/unit_normalization | ef:flow/1ec53725-8a34-471e-a330-b184c81aa302/v5 | ef:flow/1ec53725-8a34-471e-a330-b184c81aa302/v6 |
| ef:activity/change/20260821T1302361922970000/237544 | properties | ef:agent/enrich_references | ef:flow/1ec53725-8a34-471e-a330-b184c81aa302/v6 | ef:flow/1ec53725-8a34-471e-a330-b184c81aa302/v7 |
| ef:activity/change/20260821T1302361922970000/237545 | skos_definition | ef:agent/enrich_references | ef:flow/1ec53725-8a34-471e-a330-b184c81aa302/v7 | ef:flow/1ec53725-8a34-471e-a330-b184c81aa302/v8 |
| ef:activity/change/20260821T1302361922970000/237546 | references | ef:agent/enrich_references | ef:flow/1ec53725-8a34-471e-a330-b184c81aa302/v8 | ef:flow/1ec53725-8a34-471e-a330-b184c81aa302/v9 |
| ef:activity/change/20260821T1302361922970000/251290 | properties | ef:agent/rdkit_pre_consensus | ef:flow/1ec53725-8a34-471e-a330-b184c81aa302/v9 | ef:flow/1ec53725-8a34-471e-a330-b184c81aa302/v10 |
| ef:activity/change/20260821T1302361922970000/255914 | altLabel | ef:agent/chebi_altlabels | ef:flow/1ec53725-8a34-471e-a330-b184c81aa302/v10 | ef:flow/1ec53725-8a34-471e-a330-b184c81aa302/v11 |
| ef:activity/change/20260821T1302361922970000/259735 | altLabel | ef:agent/consensus_match | ef:flow/1ec53725-8a34-471e-a330-b184c81aa302/v11 | ef:flow/1ec53725-8a34-471e-a330-b184c81aa302/v12 |
| ef:activity/change/20260821T1302361922970000/259736 | cas_match_labels | ef:agent/consensus_match | ef:flow/1ec53725-8a34-471e-a330-b184c81aa302/v12 | ef:flow/1ec53725-8a34-471e-a330-b184c81aa302/v13 |
| ef:activity/change/20260821T1302361922970000/276475 | properties | ef:agent/opsin_iupac | ef:flow/1ec53725-8a34-471e-a330-b184c81aa302/v13 | ef:flow/1ec53725-8a34-471e-a330-b184c81aa302/v14 |
| ef:activity/change/20260821T1302361922970000/283083 | properties | ef:agent/rdkit_post_consensus | ef:flow/1ec53725-8a34-471e-a330-b184c81aa302/v14 | ef:flow/1ec53725-8a34-471e-a330-b184c81aa302/v15 |
| ef:activity/change/20260821T1302361922970000/289518 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/1ec53725-8a34-471e-a330-b184c81aa302/v15 | ef:flow/1ec53725-8a34-471e-a330-b184c81aa302/v16 |
| ef:activity/change/20260821T1302361922970000/309285 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/1ec53725-8a34-471e-a330-b184c81aa302/v16 | ef:flow/1ec53725-8a34-471e-a330-b184c81aa302/v17 |
| ef:activity/change/20260821T1302361922970000/390830 | properties | ef:agent/normalise_property_values | ef:flow/1ec53725-8a34-471e-a330-b184c81aa302/v17 | ef:flow/1ec53725-8a34-471e-a330-b184c81aa302/v18 |
| ef:activity/change/20260821T1302361922970000/398616 | types | ef:agent/link_flows_to_their_substance | ef:flow/1ec53725-8a34-471e-a330-b184c81aa302/v18 | ef:flow/1ec53725-8a34-471e-a330-b184c81aa302/v19 |