2,3,6-trimethylphenol
Everything that changed this flow. Back to the flow
9a3a0fe6-2c3d-4d9d-b84e-3870746f4747
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 91509' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=2,3,6-trimethylphenol||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'2416-94-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4a2497227cee8465: {'2416-94-6': '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=['2416-94-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_169180']; candidate_pubchem_cids=[17016]; selected_pubchem_cids=[17016]; 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 |
|---|---|---|---|---|---|
| 20,058 | bootstrap_labels | prefLabel | — | [{"@value":"2,3,6-trimethylphenol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribu… | Bootstrapped prefLabel from legacy name field |
| 20,059 | bootstrap_labels | name | 2,3,6-trimethylphenol | — | Purged legacy name field to enforce prefLabel usage |
| 20,060 | bootstrap_labels | synonyms | ["1-Hydroxy-2,3,6-trimethylbenzene","2,3,6-TRIMETHYL PHENOL","3-Hydroxypseudocumene","AC-10656","AC1L295N","AC1Q2JIQ","… | [] | Removed legacy synonyms field in favor of structured labels |
| 141,380 | 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 |
| 141,381 | 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 |
| 219,849 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 245,754 | 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) |
| 245,755 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 245,756 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J116.743J","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['2416-94-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_169180']; candidate_pubchem_cids=[17016]; selected_pubchem_cids=[17016]; 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 |
| 253,670 | 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=C(C(=C(C=C1)C)O)C'; added: monoisotopic_mass |
| 259,743 | consensus_match | altLabel | [] | [{"@value":"3-Hydroxypseudocumene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttribut… | group_key=2,3,6-trimethylphenol||dimension=Environmental > media=Ground > geography=Non-agricultural; cas=2416-94-6; added Common Chemistry CAS names as altLabel: 3-Hydroxypseudocumene, NSC 91509, Phenol, 2,3,6-trimethyl-; object_uuid=fo-4a2497227cee8465 |
| 259,744 | consensus_match | cas_match_labels | — | {"2416-94-6":"exactMatch"} | group_key=2,3,6-trimethylphenol||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'2416-94-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4a2497227cee8465: {'2416-94-6': 'exactMatch'} |
| 278,881 | 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 '2,3,6-trimethylphenol' |
| 285,686 | 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 'Cc1ccc(C)c(O)c1C'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,254 | strip_catalogue_altlabels | altLabel | [{"@value":"3-Hydroxypseudocumene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttribut… | [{"@value":"3-Hydroxypseudocumene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttribut… | Removed 1 catalogue altLabel value(s): 'NSC 91509' (registry code) |
| 351,689 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/9a3a0fe6-2c3d-… | associations resolved on the elementary layer |
| 393,258 | 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 |
| 402,137 | 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/20260821T1122181958110000/20058 | prefLabel | ef:agent/bootstrap_labels | ef:flow/9a3a0fe6-2c3d-4d9d-b84e-3870746f4747/v0 | ef:flow/9a3a0fe6-2c3d-4d9d-b84e-3870746f4747/v1 |
| ef:activity/change/20260821T1122181958110000/20059 | name | ef:agent/bootstrap_labels | ef:flow/9a3a0fe6-2c3d-4d9d-b84e-3870746f4747/v1 | ef:flow/9a3a0fe6-2c3d-4d9d-b84e-3870746f4747/v2 |
| ef:activity/change/20260821T1122181958110000/20060 | synonyms | ef:agent/bootstrap_labels | ef:flow/9a3a0fe6-2c3d-4d9d-b84e-3870746f4747/v2 | ef:flow/9a3a0fe6-2c3d-4d9d-b84e-3870746f4747/v3 |
| ef:activity/change/20260821T1122181958110000/141380 | context | ef:agent/default_context_mapping | ef:flow/9a3a0fe6-2c3d-4d9d-b84e-3870746f4747/v3 | ef:flow/9a3a0fe6-2c3d-4d9d-b84e-3870746f4747/v4 |
| ef:activity/change/20260821T1122181958110000/141381 | context_iri | ef:agent/default_context_mapping | ef:flow/9a3a0fe6-2c3d-4d9d-b84e-3870746f4747/v4 | ef:flow/9a3a0fe6-2c3d-4d9d-b84e-3870746f4747/v5 |
| ef:activity/change/20260821T1122181958110000/219849 | unit_iri | ef:agent/unit_normalization | ef:flow/9a3a0fe6-2c3d-4d9d-b84e-3870746f4747/v5 | ef:flow/9a3a0fe6-2c3d-4d9d-b84e-3870746f4747/v6 |
| ef:activity/change/20260821T1122181958110000/245754 | properties | ef:agent/enrich_references | ef:flow/9a3a0fe6-2c3d-4d9d-b84e-3870746f4747/v6 | ef:flow/9a3a0fe6-2c3d-4d9d-b84e-3870746f4747/v7 |
| ef:activity/change/20260821T1122181958110000/245755 | skos_definition | ef:agent/enrich_references | ef:flow/9a3a0fe6-2c3d-4d9d-b84e-3870746f4747/v7 | ef:flow/9a3a0fe6-2c3d-4d9d-b84e-3870746f4747/v8 |
| ef:activity/change/20260821T1122181958110000/245756 | references | ef:agent/enrich_references | ef:flow/9a3a0fe6-2c3d-4d9d-b84e-3870746f4747/v8 | ef:flow/9a3a0fe6-2c3d-4d9d-b84e-3870746f4747/v9 |
| ef:activity/change/20260821T1122181958110000/253670 | properties | ef:agent/rdkit_pre_consensus | ef:flow/9a3a0fe6-2c3d-4d9d-b84e-3870746f4747/v9 | ef:flow/9a3a0fe6-2c3d-4d9d-b84e-3870746f4747/v10 |
| ef:activity/change/20260821T1122181958110000/259743 | altLabel | ef:agent/consensus_match | ef:flow/9a3a0fe6-2c3d-4d9d-b84e-3870746f4747/v10 | ef:flow/9a3a0fe6-2c3d-4d9d-b84e-3870746f4747/v11 |
| ef:activity/change/20260821T1122181958110000/259744 | cas_match_labels | ef:agent/consensus_match | ef:flow/9a3a0fe6-2c3d-4d9d-b84e-3870746f4747/v11 | ef:flow/9a3a0fe6-2c3d-4d9d-b84e-3870746f4747/v12 |
| ef:activity/change/20260821T1122181958110000/278881 | properties | ef:agent/opsin_iupac | ef:flow/9a3a0fe6-2c3d-4d9d-b84e-3870746f4747/v12 | ef:flow/9a3a0fe6-2c3d-4d9d-b84e-3870746f4747/v13 |
| ef:activity/change/20260821T1122181958110000/285686 | properties | ef:agent/rdkit_post_consensus | ef:flow/9a3a0fe6-2c3d-4d9d-b84e-3870746f4747/v13 | ef:flow/9a3a0fe6-2c3d-4d9d-b84e-3870746f4747/v14 |
| ef:activity/change/20260821T1122181958110000/291254 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/9a3a0fe6-2c3d-4d9d-b84e-3870746f4747/v14 | ef:flow/9a3a0fe6-2c3d-4d9d-b84e-3870746f4747/v15 |
| ef:activity/change/20260821T1122181958110000/351689 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/9a3a0fe6-2c3d-4d9d-b84e-3870746f4747/v15 | ef:flow/9a3a0fe6-2c3d-4d9d-b84e-3870746f4747/v16 |
| ef:activity/change/20260821T1122181958110000/393258 | properties | ef:agent/normalise_property_values | ef:flow/9a3a0fe6-2c3d-4d9d-b84e-3870746f4747/v16 | ef:flow/9a3a0fe6-2c3d-4d9d-b84e-3870746f4747/v17 |
| ef:activity/change/20260821T1122181958110000/402137 | types | ef:agent/link_flows_to_their_substance | ef:flow/9a3a0fe6-2c3d-4d9d-b84e-3870746f4747/v17 | ef:flow/9a3a0fe6-2c3d-4d9d-b84e-3870746f4747/v18 |