1-methyl-4-(methylsulfonyl)-2-nitrobenzene
Everything that changed this flow. Back to the flow
4a7686de-4c73-44a9-b6b8-874011bb5c50
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=1-methyl-4-(methylsulfonyl)-2-nitrobenzene||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['pubchem']; cas_sources={'1671-49-4': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ff04071150d85ad6: {'1671-49-4': '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=['1671-49-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[687125]; selected_pubchem_cids=[687125]; 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 |
|---|---|---|---|---|---|
| 9,856 | bootstrap_labels | prefLabel | — | [{"@value":"1-methyl-4-(methylsulfonyl)-2-nitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_lab… | Bootstrapped prefLabel from legacy name field |
| 9,857 | bootstrap_labels | name | 1-methyl-4-(methylsulfonyl)-2-nitrobenzene | — | Purged legacy name field to enforce prefLabel usage |
| 9,858 | bootstrap_labels | synonyms | ["organic","4-mesyl-2-nitrotoluene","nmst"] | [] | Removed legacy synonyms field in favor of structured labels |
| 85,434 | 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 |
| 85,435 | 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 |
| 216,614 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 236,598 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H9NO4S"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 236,599 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 236,600 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.595.742A","provenance":{"prov:wasGeneratedBy":"enrich_refer… | Added references with provenance; cas_numbers=['1671-49-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[687125]; selected_pubchem_cids=[687125]; 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 |
| 251,027 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H9NO4S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H9NO4S"]… | rdkit_pre_consensus from 'CC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]'; added: molecular_mass, monoisotopic_mass |
| 259,218 | consensus_match | altLabel | [] | [{"@value":"1-Methyl-4-methylsulfonyl-2-nitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match… | group_key=1-methyl-4-(methylsulfonyl)-2-nitrobenzene||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=1671-49-4; added Common Chemistry CAS names as altLabel: 1-Methyl-4-methylsulfonyl-2-nitrobenzene, 2-Nitro-4-methanesulfone toluene, 2-Nitro-4-methylsulfone toluene, 2-Nitro-4-methylsulfonyltoluene, 4-Methylsulfonyl-1-methyl-2-nitrobenzene, 4-Methylsulfonyl-2-nitrotoluene, Benzene, 1-methyl-4-(methylsulfonyl)-2-nitro-, Sulfone, methyl 3-nitro-<em>p</em>-tolyl; object_uuid=fo-ff04071150d85ad6 |
| 259,219 | consensus_match | cas_match_labels | — | {"1671-49-4":"exactMatch"} | group_key=1-methyl-4-(methylsulfonyl)-2-nitrobenzene||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['pubchem']; cas_sources={'1671-49-4': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ff04071150d85ad6: {'1671-49-4': 'exactMatch'} |
| 276,211 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H9NO4S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H9NO4S"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1-methyl-4-(methylsulfonyl)-2-nitrobenzene' |
| 282,791 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H9NO4S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H9NO4S"]… | rdkit_post_consensus from 'Cc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,464 | dedupe_altlabels | altLabel | [{"@value":"1-Methyl-4-methylsulfonyl-2-nitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match… | [{"@value":"1-Methyl-4-methylsulfonyl-2-nitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match… | Deduplicated altLabel values and removed entries matching prefLabel |
| 323,725 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4a7686de-4c73-… | associations resolved on the elementary layer |
| 390,550 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H9NO4S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H9NO4S"]… | typed the way the ontology types it |
| 398,204 | 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/20260820T1812399309960000/9856 | prefLabel | ef:agent/bootstrap_labels | ef:flow/4a7686de-4c73-44a9-b6b8-874011bb5c50/v0 | ef:flow/4a7686de-4c73-44a9-b6b8-874011bb5c50/v1 |
| ef:activity/change/20260820T1812399309960000/9857 | name | ef:agent/bootstrap_labels | ef:flow/4a7686de-4c73-44a9-b6b8-874011bb5c50/v1 | ef:flow/4a7686de-4c73-44a9-b6b8-874011bb5c50/v2 |
| ef:activity/change/20260820T1812399309960000/9858 | synonyms | ef:agent/bootstrap_labels | ef:flow/4a7686de-4c73-44a9-b6b8-874011bb5c50/v2 | ef:flow/4a7686de-4c73-44a9-b6b8-874011bb5c50/v3 |
| ef:activity/change/20260820T1812399309960000/85434 | context | ef:agent/default_context_mapping | ef:flow/4a7686de-4c73-44a9-b6b8-874011bb5c50/v3 | ef:flow/4a7686de-4c73-44a9-b6b8-874011bb5c50/v4 |
| ef:activity/change/20260820T1812399309960000/85435 | context_iri | ef:agent/default_context_mapping | ef:flow/4a7686de-4c73-44a9-b6b8-874011bb5c50/v4 | ef:flow/4a7686de-4c73-44a9-b6b8-874011bb5c50/v5 |
| ef:activity/change/20260820T1812399309960000/216614 | unit_iri | ef:agent/unit_normalization | ef:flow/4a7686de-4c73-44a9-b6b8-874011bb5c50/v5 | ef:flow/4a7686de-4c73-44a9-b6b8-874011bb5c50/v6 |
| ef:activity/change/20260820T1812399309960000/236598 | properties | ef:agent/enrich_references | ef:flow/4a7686de-4c73-44a9-b6b8-874011bb5c50/v6 | ef:flow/4a7686de-4c73-44a9-b6b8-874011bb5c50/v7 |
| ef:activity/change/20260820T1812399309960000/236599 | skos_definition | ef:agent/enrich_references | ef:flow/4a7686de-4c73-44a9-b6b8-874011bb5c50/v7 | ef:flow/4a7686de-4c73-44a9-b6b8-874011bb5c50/v8 |
| ef:activity/change/20260820T1812399309960000/236600 | references | ef:agent/enrich_references | ef:flow/4a7686de-4c73-44a9-b6b8-874011bb5c50/v8 | ef:flow/4a7686de-4c73-44a9-b6b8-874011bb5c50/v9 |
| ef:activity/change/20260820T1812399309960000/251027 | properties | ef:agent/rdkit_pre_consensus | ef:flow/4a7686de-4c73-44a9-b6b8-874011bb5c50/v9 | ef:flow/4a7686de-4c73-44a9-b6b8-874011bb5c50/v10 |
| ef:activity/change/20260820T1812399309960000/259218 | altLabel | ef:agent/consensus_match | ef:flow/4a7686de-4c73-44a9-b6b8-874011bb5c50/v10 | ef:flow/4a7686de-4c73-44a9-b6b8-874011bb5c50/v11 |
| ef:activity/change/20260820T1812399309960000/259219 | cas_match_labels | ef:agent/consensus_match | ef:flow/4a7686de-4c73-44a9-b6b8-874011bb5c50/v11 | ef:flow/4a7686de-4c73-44a9-b6b8-874011bb5c50/v12 |
| ef:activity/change/20260820T1812399309960000/276211 | properties | ef:agent/opsin_iupac | ef:flow/4a7686de-4c73-44a9-b6b8-874011bb5c50/v12 | ef:flow/4a7686de-4c73-44a9-b6b8-874011bb5c50/v13 |
| ef:activity/change/20260820T1812399309960000/282791 | properties | ef:agent/rdkit_post_consensus | ef:flow/4a7686de-4c73-44a9-b6b8-874011bb5c50/v13 | ef:flow/4a7686de-4c73-44a9-b6b8-874011bb5c50/v14 |
| ef:activity/change/20260820T1812399309960000/292464 | altLabel | ef:agent/dedupe_altlabels | ef:flow/4a7686de-4c73-44a9-b6b8-874011bb5c50/v14 | ef:flow/4a7686de-4c73-44a9-b6b8-874011bb5c50/v15 |
| ef:activity/change/20260820T1812399309960000/323725 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/4a7686de-4c73-44a9-b6b8-874011bb5c50/v15 | ef:flow/4a7686de-4c73-44a9-b6b8-874011bb5c50/v16 |
| ef:activity/change/20260820T1812399309960000/390550 | properties | ef:agent/normalise_property_values | ef:flow/4a7686de-4c73-44a9-b6b8-874011bb5c50/v16 | ef:flow/4a7686de-4c73-44a9-b6b8-874011bb5c50/v17 |
| ef:activity/change/20260820T1812399309960000/398204 | types | ef:agent/link_flows_to_their_substance | ef:flow/4a7686de-4c73-44a9-b6b8-874011bb5c50/v17 | ef:flow/4a7686de-4c73-44a9-b6b8-874011bb5c50/v18 |