Dinitrophenol
Everything that changed this flow. Back to the flow
5906d91b-58d4-4179-a37c-61cb22b06f85
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 4 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus | typed the way the ontology types it |
| altLabel | 2 | chebi_altlabels, consensus_match | group_key=dinitrophenol||dimension=Environmental > media=Water > water_body=Long-term; cas=25550-58-7; added Common Chemistry CAS names as altLabel: Phenol, dinitro-; object_uuid=fo-db8fbcc2141dcc7e |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| cas_match_labels | 1 | consensus_match | group_key=dinitrophenol||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['chebi', 'ec_inventory']; cas_sources={'25550-58-7': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-db8fbcc2141dcc7e: {'25550-58-7': '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 |
| ec_numbers | 1 | ec_cross_check | Resolved from EC-inventory: 247-096-2 from CAS 25550-58-7 |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['25550-58-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_39352']; candidate_pubchem_cids=[1493, 6191, 156614053]; selected_pubchem_cids=[]; 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 |
| 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 |
|---|---|---|---|---|---|
| 504 | bootstrap_labels | prefLabel | — | [{"@value":"dinitrophenol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"… | Bootstrapped prefLabel from legacy name field |
| 505 | bootstrap_labels | name | dinitrophenol | — | Purged legacy name field to enforce prefLabel usage |
| 102,702 | 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 |
| 102,703 | 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 |
| 213,501 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,204 | normalize_name_case | prefLabel | [{"@value":"dinitrophenol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"… | [{"@value":"Dinitrophenol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 226,715 | ec_cross_check | ec_numbers | [] | ["247-096-2"] | Resolved from EC-inventory: 247-096-2 from CAS 25550-58-7 |
| 227,643 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4N2O5"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=0) |
| 227,644 | enrich_references | skos_definition | — | [{"@value":"Members of the class of nitrophenol carrying two nitro substituents.","@language":"en","provenance":{"prov:… | Merged ChEBI/PubChem definitions into skos:definition |
| 227,645 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=25550-58-7","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['25550-58-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_39352']; candidate_pubchem_cids=[1493, 6191, 156614053]; selected_pubchem_cids=[]; 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 |
| 254,442 | chebi_altlabels | altLabel | [] | [{"@value":"dinitrophenols","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"… | Added 1 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 266,184 | consensus_match | altLabel | [{"@value":"dinitrophenols","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"… | [{"@value":"dinitrophenols","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"… | group_key=dinitrophenol||dimension=Environmental > media=Water > water_body=Long-term; cas=25550-58-7; added Common Chemistry CAS names as altLabel: Phenol, dinitro-; object_uuid=fo-db8fbcc2141dcc7e |
| 266,185 | consensus_match | cas_match_labels | — | {"25550-58-7":"exactMatch"} | group_key=dinitrophenol||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['chebi', 'ec_inventory']; cas_sources={'25550-58-7': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-db8fbcc2141dcc7e: {'25550-58-7': 'exactMatch'} |
| 273,570 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4N2O5"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4N2O5"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Dinitrophenol' |
| 279,933 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4N2O5"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4N2O5"]… | rdkit_post_consensus from 'O=[N+]([O-])c1cccc(O)c1[N+](=O)[O-]'; added: inchi2d_key_string, monoisotopic_mass; confirmed: smiles_string, inchi2d_string, molecular_formula, molecular_mass |
| 332,348 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/5906d91b-58d4-… | associations resolved on the elementary layer |
| 387,846 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4N2O5"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4N2O5"]… | typed the way the ontology types it |
| 394,364 | 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/20260822T0600486828500000/504 | prefLabel | ef:agent/bootstrap_labels | ef:flow/5906d91b-58d4-4179-a37c-61cb22b06f85/v0 | ef:flow/5906d91b-58d4-4179-a37c-61cb22b06f85/v1 |
| ef:activity/change/20260822T0600486828500000/505 | name | ef:agent/bootstrap_labels | ef:flow/5906d91b-58d4-4179-a37c-61cb22b06f85/v1 | ef:flow/5906d91b-58d4-4179-a37c-61cb22b06f85/v2 |
| ef:activity/change/20260822T0600486828500000/102702 | context | ef:agent/default_context_mapping | ef:flow/5906d91b-58d4-4179-a37c-61cb22b06f85/v2 | ef:flow/5906d91b-58d4-4179-a37c-61cb22b06f85/v3 |
| ef:activity/change/20260822T0600486828500000/102703 | context_iri | ef:agent/default_context_mapping | ef:flow/5906d91b-58d4-4179-a37c-61cb22b06f85/v3 | ef:flow/5906d91b-58d4-4179-a37c-61cb22b06f85/v4 |
| ef:activity/change/20260822T0600486828500000/213501 | unit_iri | ef:agent/unit_normalization | ef:flow/5906d91b-58d4-4179-a37c-61cb22b06f85/v4 | ef:flow/5906d91b-58d4-4179-a37c-61cb22b06f85/v5 |
| ef:activity/change/20260822T0600486828500000/221204 | prefLabel | ef:agent/normalize_name_case | ef:flow/5906d91b-58d4-4179-a37c-61cb22b06f85/v5 | ef:flow/5906d91b-58d4-4179-a37c-61cb22b06f85/v6 |
| ef:activity/change/20260822T0600486828500000/226715 | ec_numbers | ef:agent/ec_cross_check | ef:flow/5906d91b-58d4-4179-a37c-61cb22b06f85/v6 | ef:flow/5906d91b-58d4-4179-a37c-61cb22b06f85/v7 |
| ef:activity/change/20260822T0600486828500000/227643 | properties | ef:agent/enrich_references | ef:flow/5906d91b-58d4-4179-a37c-61cb22b06f85/v7 | ef:flow/5906d91b-58d4-4179-a37c-61cb22b06f85/v8 |
| ef:activity/change/20260822T0600486828500000/227644 | skos_definition | ef:agent/enrich_references | ef:flow/5906d91b-58d4-4179-a37c-61cb22b06f85/v8 | ef:flow/5906d91b-58d4-4179-a37c-61cb22b06f85/v9 |
| ef:activity/change/20260822T0600486828500000/227645 | references | ef:agent/enrich_references | ef:flow/5906d91b-58d4-4179-a37c-61cb22b06f85/v9 | ef:flow/5906d91b-58d4-4179-a37c-61cb22b06f85/v10 |
| ef:activity/change/20260822T0600486828500000/254442 | altLabel | ef:agent/chebi_altlabels | ef:flow/5906d91b-58d4-4179-a37c-61cb22b06f85/v10 | ef:flow/5906d91b-58d4-4179-a37c-61cb22b06f85/v11 |
| ef:activity/change/20260822T0600486828500000/266184 | altLabel | ef:agent/consensus_match | ef:flow/5906d91b-58d4-4179-a37c-61cb22b06f85/v11 | ef:flow/5906d91b-58d4-4179-a37c-61cb22b06f85/v12 |
| ef:activity/change/20260822T0600486828500000/266185 | cas_match_labels | ef:agent/consensus_match | ef:flow/5906d91b-58d4-4179-a37c-61cb22b06f85/v12 | ef:flow/5906d91b-58d4-4179-a37c-61cb22b06f85/v13 |
| ef:activity/change/20260822T0600486828500000/273570 | properties | ef:agent/opsin_iupac | ef:flow/5906d91b-58d4-4179-a37c-61cb22b06f85/v13 | ef:flow/5906d91b-58d4-4179-a37c-61cb22b06f85/v14 |
| ef:activity/change/20260822T0600486828500000/279933 | properties | ef:agent/rdkit_post_consensus | ef:flow/5906d91b-58d4-4179-a37c-61cb22b06f85/v14 | ef:flow/5906d91b-58d4-4179-a37c-61cb22b06f85/v15 |
| ef:activity/change/20260822T0600486828500000/332348 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/5906d91b-58d4-4179-a37c-61cb22b06f85/v15 | ef:flow/5906d91b-58d4-4179-a37c-61cb22b06f85/v16 |
| ef:activity/change/20260822T0600486828500000/387846 | properties | ef:agent/normalise_property_values | ef:flow/5906d91b-58d4-4179-a37c-61cb22b06f85/v16 | ef:flow/5906d91b-58d4-4179-a37c-61cb22b06f85/v17 |
| ef:activity/change/20260822T0600486828500000/394364 | types | ef:agent/link_flows_to_their_substance | ef:flow/5906d91b-58d4-4179-a37c-61cb22b06f85/v17 | ef:flow/5906d91b-58d4-4179-a37c-61cb22b06f85/v18 |