2-nitrophenol
Everything that changed this flow. Back to the flow
218b92fb-b121-4565-a42d-058106f3b486
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 1552' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=2-nitrophenol||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'88-75-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-fb417dc6ea2fcd24: {'88-75-5': '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 water > Emissions to sea water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 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=['88-75-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_16260']; candidate_pubchem_cids=[6947, 134225, 4191617, 13161390]; selected_pubchem_cids=[6947]; 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 |
|---|---|---|---|---|---|
| 144 | bootstrap_labels | prefLabel | — | [{"@value":"2-nitrophenol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"… | Bootstrapped prefLabel from legacy name field |
| 145 | bootstrap_labels | name | 2-nitrophenol | — | Purged legacy name field to enforce prefLabel usage |
| 146 | bootstrap_labels | synonyms | ["2-(dihydroxyamino)phenol","2-Hydroxynitrobenzene","2-nitrophenol, ammonium salt","2-nitrophenol, sodium salt","AB-131… | [] | Removed legacy synonyms field in favor of structured labels |
| 59,076 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Ocean"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 59,077 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-ocea | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 213,386 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 227,306 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5NO3"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 227,307 | enrich_references | skos_definition | — | [{"@value":"A member of the class of 2-nitrophenols that is phenol in which one of the hydrogens that is ortho to the h… | Merged ChEBI/PubChem definitions into skos:definition |
| 227,308 | enrich_references | references | [] | [{"@id":"gmelin:101867","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"con… | Added references with provenance; cas_numbers=['88-75-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_16260']; candidate_pubchem_cids=[6947, 134225, 4191617, 13161390]; selected_pubchem_cids=[6947]; 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 |
| 248,350 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5NO3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5NO3"],… | rdkit_pre_consensus from 'C1=CC=C(C(=C1)[N+](=O)[O-])O'; added: monoisotopic_mass |
| 254,406 | chebi_altlabels | altLabel | [] | [{"@value":"2-hydroxynitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | Added 3 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 261,250 | consensus_match | altLabel | [{"@value":"2-hydroxynitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | [{"@value":"2-hydroxynitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | group_key=2-nitrophenol||dimension=Environmental > media=Ground > geography=Agricultural; cas=88-75-5; added Common Chemistry CAS names as altLabel: NSC 1552, Phenol, 2-nitro-, Phenol, <em>o</em>-nitro-; object_uuid=fo-fb417dc6ea2fcd24 |
| 261,251 | consensus_match | cas_match_labels | — | {"88-75-5":"exactMatch"} | group_key=2-nitrophenol||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'88-75-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-fb417dc6ea2fcd24: {'88-75-5': 'exactMatch'} |
| 273,494 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5NO3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5NO3"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-nitrophenol' |
| 279,845 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5NO3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5NO3"],… | rdkit_post_consensus from 'O=[N+]([O-])c1ccccc1O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,297 | strip_catalogue_altlabels | altLabel | [{"@value":"2-hydroxynitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | [{"@value":"2-hydroxynitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | Removed 1 catalogue altLabel value(s): 'NSC 1552' (registry code) |
| 310,580 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/218b92fb-b121-… | associations resolved on the elementary layer |
| 387,772 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5NO3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5NO3"],… | typed the way the ontology types it |
| 394,241 | 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/20260820T0738569779880000/144 | prefLabel | ef:agent/bootstrap_labels | ef:flow/218b92fb-b121-4565-a42d-058106f3b486/v0 | ef:flow/218b92fb-b121-4565-a42d-058106f3b486/v1 |
| ef:activity/change/20260820T0738569779880000/145 | name | ef:agent/bootstrap_labels | ef:flow/218b92fb-b121-4565-a42d-058106f3b486/v1 | ef:flow/218b92fb-b121-4565-a42d-058106f3b486/v2 |
| ef:activity/change/20260820T0738569779880000/146 | synonyms | ef:agent/bootstrap_labels | ef:flow/218b92fb-b121-4565-a42d-058106f3b486/v2 | ef:flow/218b92fb-b121-4565-a42d-058106f3b486/v3 |
| ef:activity/change/20260820T0738569779880000/59076 | context | ef:agent/default_context_mapping | ef:flow/218b92fb-b121-4565-a42d-058106f3b486/v3 | ef:flow/218b92fb-b121-4565-a42d-058106f3b486/v4 |
| ef:activity/change/20260820T0738569779880000/59077 | context_iri | ef:agent/default_context_mapping | ef:flow/218b92fb-b121-4565-a42d-058106f3b486/v4 | ef:flow/218b92fb-b121-4565-a42d-058106f3b486/v5 |
| ef:activity/change/20260820T0738569779880000/213386 | unit_iri | ef:agent/unit_normalization | ef:flow/218b92fb-b121-4565-a42d-058106f3b486/v5 | ef:flow/218b92fb-b121-4565-a42d-058106f3b486/v6 |
| ef:activity/change/20260820T0738569779880000/227306 | properties | ef:agent/enrich_references | ef:flow/218b92fb-b121-4565-a42d-058106f3b486/v6 | ef:flow/218b92fb-b121-4565-a42d-058106f3b486/v7 |
| ef:activity/change/20260820T0738569779880000/227307 | skos_definition | ef:agent/enrich_references | ef:flow/218b92fb-b121-4565-a42d-058106f3b486/v7 | ef:flow/218b92fb-b121-4565-a42d-058106f3b486/v8 |
| ef:activity/change/20260820T0738569779880000/227308 | references | ef:agent/enrich_references | ef:flow/218b92fb-b121-4565-a42d-058106f3b486/v8 | ef:flow/218b92fb-b121-4565-a42d-058106f3b486/v9 |
| ef:activity/change/20260820T0738569779880000/248350 | properties | ef:agent/rdkit_pre_consensus | ef:flow/218b92fb-b121-4565-a42d-058106f3b486/v9 | ef:flow/218b92fb-b121-4565-a42d-058106f3b486/v10 |
| ef:activity/change/20260820T0738569779880000/254406 | altLabel | ef:agent/chebi_altlabels | ef:flow/218b92fb-b121-4565-a42d-058106f3b486/v10 | ef:flow/218b92fb-b121-4565-a42d-058106f3b486/v11 |
| ef:activity/change/20260820T0738569779880000/261250 | altLabel | ef:agent/consensus_match | ef:flow/218b92fb-b121-4565-a42d-058106f3b486/v11 | ef:flow/218b92fb-b121-4565-a42d-058106f3b486/v12 |
| ef:activity/change/20260820T0738569779880000/261251 | cas_match_labels | ef:agent/consensus_match | ef:flow/218b92fb-b121-4565-a42d-058106f3b486/v12 | ef:flow/218b92fb-b121-4565-a42d-058106f3b486/v13 |
| ef:activity/change/20260820T0738569779880000/273494 | properties | ef:agent/opsin_iupac | ef:flow/218b92fb-b121-4565-a42d-058106f3b486/v13 | ef:flow/218b92fb-b121-4565-a42d-058106f3b486/v14 |
| ef:activity/change/20260820T0738569779880000/279845 | properties | ef:agent/rdkit_post_consensus | ef:flow/218b92fb-b121-4565-a42d-058106f3b486/v14 | ef:flow/218b92fb-b121-4565-a42d-058106f3b486/v15 |
| ef:activity/change/20260820T0738569779880000/287297 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/218b92fb-b121-4565-a42d-058106f3b486/v15 | ef:flow/218b92fb-b121-4565-a42d-058106f3b486/v16 |
| ef:activity/change/20260820T0738569779880000/310580 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/218b92fb-b121-4565-a42d-058106f3b486/v16 | ef:flow/218b92fb-b121-4565-a42d-058106f3b486/v17 |
| ef:activity/change/20260820T0738569779880000/387772 | properties | ef:agent/normalise_property_values | ef:flow/218b92fb-b121-4565-a42d-058106f3b486/v17 | ef:flow/218b92fb-b121-4565-a42d-058106f3b486/v18 |
| ef:activity/change/20260820T0738569779880000/394241 | types | ef:agent/link_flows_to_their_substance | ef:flow/218b92fb-b121-4565-a42d-058106f3b486/v18 | ef:flow/218b92fb-b121-4565-a42d-058106f3b486/v19 |