4-nitro-o-xylene
Everything that changed this flow. Back to the flow
ca250a8c-8157-4134-a6d3-f0c2817000ad
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 66555' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=4-nitro-o-xylene||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'99-51-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-eb339f8f655824e6: {'99-51-4': '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 soil > Emissions to 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 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=['99-51-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[7160, 7440, 94745]; selected_pubchem_cids=[7440]; 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 |
|---|---|---|---|---|---|
| 17,913 | bootstrap_labels | prefLabel | — | [{"@value":"4-nitro-o-xylene","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo… | Bootstrapped prefLabel from legacy name field |
| 17,914 | bootstrap_labels | name | 4-nitro-o-xylene | — | Purged legacy name field to enforce prefLabel usage |
| 17,915 | bootstrap_labels | synonyms | ["1,2-DIMETHYL-4-NITROBENZENE","1,2-dimethyl-4-nitrobenzol","3,4-Dimethyl-1-nitrobenzene","3,4-Dimethylnitrobenzene","4… | [] | Removed legacy synonyms field in favor of structured labels |
| 169,484 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 169,485 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-agri | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 219,205 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 243,960 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H9NO2"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 243,961 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 243,962 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J95.095E","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['99-51-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[7160, 7440, 94745]; selected_pubchem_cids=[7440]; 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 |
| 253,153 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H9NO2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H9NO2"],… | rdkit_pre_consensus from 'CC1=C(C=C(C=C1)[N+](=O)[O-])C'; added: molecular_mass, monoisotopic_mass |
| 262,875 | consensus_match | altLabel | [] | [{"@value":"1,2-Dimethyl-4-nitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAt… | group_key=4-nitro-o-xylene||dimension=Environmental > media=Water > water_body=Surface water; cas=99-51-4; added Common Chemistry CAS names as altLabel: 1,2-Dimethyl-4-nitrobenzene, 3,4-Dimethyl-1-nitrobenzene, 4-Nitro-1,2-dimethylbenzene, <em>o</em>-Xylene, 4-nitro-, Benzene, 1,2-dimethyl-4-nitro-, NSC 66555; object_uuid=fo-eb339f8f655824e6 |
| 262,876 | consensus_match | cas_match_labels | — | {"99-51-4":"exactMatch"} | group_key=4-nitro-o-xylene||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'99-51-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-eb339f8f655824e6: {'99-51-4': 'exactMatch'} |
| 278,356 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H9NO2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H9NO2"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '4-nitro-o-xylene' |
| 285,113 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H9NO2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H9NO2"],… | rdkit_post_consensus from 'Cc1ccc([N+](=O)[O-])cc1C'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,867 | strip_catalogue_altlabels | altLabel | [{"@value":"1,2-Dimethyl-4-nitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAt… | [{"@value":"1,2-Dimethyl-4-nitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAt… | Removed 1 catalogue altLabel value(s): 'NSC 66555' (registry code) |
| 365,768 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/ca250a8c-8157-… | associations resolved on the elementary layer |
| 392,720 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H9NO2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H9NO2"],… | typed the way the ontology types it |
| 401,327 | 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/20260821T1554374006150000/17913 | prefLabel | ef:agent/bootstrap_labels | ef:flow/ca250a8c-8157-4134-a6d3-f0c2817000ad/v0 | ef:flow/ca250a8c-8157-4134-a6d3-f0c2817000ad/v1 |
| ef:activity/change/20260821T1554374006150000/17914 | name | ef:agent/bootstrap_labels | ef:flow/ca250a8c-8157-4134-a6d3-f0c2817000ad/v1 | ef:flow/ca250a8c-8157-4134-a6d3-f0c2817000ad/v2 |
| ef:activity/change/20260821T1554374006150000/17915 | synonyms | ef:agent/bootstrap_labels | ef:flow/ca250a8c-8157-4134-a6d3-f0c2817000ad/v2 | ef:flow/ca250a8c-8157-4134-a6d3-f0c2817000ad/v3 |
| ef:activity/change/20260821T1554374006150000/169484 | context | ef:agent/default_context_mapping | ef:flow/ca250a8c-8157-4134-a6d3-f0c2817000ad/v3 | ef:flow/ca250a8c-8157-4134-a6d3-f0c2817000ad/v4 |
| ef:activity/change/20260821T1554374006150000/169485 | context_iri | ef:agent/default_context_mapping | ef:flow/ca250a8c-8157-4134-a6d3-f0c2817000ad/v4 | ef:flow/ca250a8c-8157-4134-a6d3-f0c2817000ad/v5 |
| ef:activity/change/20260821T1554374006150000/219205 | unit_iri | ef:agent/unit_normalization | ef:flow/ca250a8c-8157-4134-a6d3-f0c2817000ad/v5 | ef:flow/ca250a8c-8157-4134-a6d3-f0c2817000ad/v6 |
| ef:activity/change/20260821T1554374006150000/243960 | properties | ef:agent/enrich_references | ef:flow/ca250a8c-8157-4134-a6d3-f0c2817000ad/v6 | ef:flow/ca250a8c-8157-4134-a6d3-f0c2817000ad/v7 |
| ef:activity/change/20260821T1554374006150000/243961 | skos_definition | ef:agent/enrich_references | ef:flow/ca250a8c-8157-4134-a6d3-f0c2817000ad/v7 | ef:flow/ca250a8c-8157-4134-a6d3-f0c2817000ad/v8 |
| ef:activity/change/20260821T1554374006150000/243962 | references | ef:agent/enrich_references | ef:flow/ca250a8c-8157-4134-a6d3-f0c2817000ad/v8 | ef:flow/ca250a8c-8157-4134-a6d3-f0c2817000ad/v9 |
| ef:activity/change/20260821T1554374006150000/253153 | properties | ef:agent/rdkit_pre_consensus | ef:flow/ca250a8c-8157-4134-a6d3-f0c2817000ad/v9 | ef:flow/ca250a8c-8157-4134-a6d3-f0c2817000ad/v10 |
| ef:activity/change/20260821T1554374006150000/262875 | altLabel | ef:agent/consensus_match | ef:flow/ca250a8c-8157-4134-a6d3-f0c2817000ad/v10 | ef:flow/ca250a8c-8157-4134-a6d3-f0c2817000ad/v11 |
| ef:activity/change/20260821T1554374006150000/262876 | cas_match_labels | ef:agent/consensus_match | ef:flow/ca250a8c-8157-4134-a6d3-f0c2817000ad/v11 | ef:flow/ca250a8c-8157-4134-a6d3-f0c2817000ad/v12 |
| ef:activity/change/20260821T1554374006150000/278356 | properties | ef:agent/opsin_iupac | ef:flow/ca250a8c-8157-4134-a6d3-f0c2817000ad/v12 | ef:flow/ca250a8c-8157-4134-a6d3-f0c2817000ad/v13 |
| ef:activity/change/20260821T1554374006150000/285113 | properties | ef:agent/rdkit_post_consensus | ef:flow/ca250a8c-8157-4134-a6d3-f0c2817000ad/v13 | ef:flow/ca250a8c-8157-4134-a6d3-f0c2817000ad/v14 |
| ef:activity/change/20260821T1554374006150000/290867 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/ca250a8c-8157-4134-a6d3-f0c2817000ad/v14 | ef:flow/ca250a8c-8157-4134-a6d3-f0c2817000ad/v15 |
| ef:activity/change/20260821T1554374006150000/365768 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/ca250a8c-8157-4134-a6d3-f0c2817000ad/v15 | ef:flow/ca250a8c-8157-4134-a6d3-f0c2817000ad/v16 |
| ef:activity/change/20260821T1554374006150000/392720 | properties | ef:agent/normalise_property_values | ef:flow/ca250a8c-8157-4134-a6d3-f0c2817000ad/v16 | ef:flow/ca250a8c-8157-4134-a6d3-f0c2817000ad/v17 |
| ef:activity/change/20260821T1554374006150000/401327 | types | ef:agent/link_flows_to_their_substance | ef:flow/ca250a8c-8157-4134-a6d3-f0c2817000ad/v17 | ef:flow/ca250a8c-8157-4134-a6d3-f0c2817000ad/v18 |