1-(3-(2-methoxy-5-nitrophenoxy)propyl)-4-methylpiperazine
Everything that changed this flow. Back to the flow
26656708-084a-49bb-894d-e7f9f6959d26
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 | 1 | consensus_match | group_key=1-(3-(2-methoxy-5-nitrophenoxy)propyl)-4-methylpiperazine||dimension=Environmental > media=Ground > geography=Unknown; cas=846023-54-9; added Common Chemistry CAS names as altLabel: 1-[3-(2-Methoxy-5-nitrophenoxy)propyl]-4-methylpiperazine, Piperazine, 1-[3-(2-methoxy-5-nitrophenoxy)propyl]-4-methyl-; object_uuid=fo-2f65cc11e8151413 |
| cas_match_labels | 1 | consensus_match | group_key=1-(3-(2-methoxy-5-nitrophenoxy)propyl)-4-methylpiperazine||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'846023-54-9': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2f65cc11e8151413: {'846023-54-9': '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=['846023-54-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[46864058]; selected_pubchem_cids=[46864058]; 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
17| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 2,947 | bootstrap_labels | prefLabel | — | [{"@value":"1-(3-(2-methoxy-5-nitrophenoxy)propyl)-4-methylpiperazine","@language":"en","source":{"prov:wasGeneratedBy"… | Bootstrapped prefLabel from legacy name field |
| 2,948 | bootstrap_labels | name | 1-(3-(2-methoxy-5-nitrophenoxy)propyl)-4-methylpiperazine | — | Purged legacy name field to enforce prefLabel usage |
| 2,949 | bootstrap_labels | synonyms | ["organic"] | [] | Removed legacy synonyms field in favor of structured labels |
| 61,898 | 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 |
| 61,899 | 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 |
| 214,322 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 230,010 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H23N3O4… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 230,011 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 230,012 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.149.066","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['846023-54-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[46864058]; selected_pubchem_cids=[46864058]; 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 |
| 249,133 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H23N3O4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H23N3O4… | rdkit_pre_consensus from 'CN1CCN(CC1)CCCOC2=C(C=CC(=C2)[N+](=O)[O-])OC'; added: molecular_mass, monoisotopic_mass |
| 258,832 | consensus_match | altLabel | [] | [{"@value":"1-[3-(2-Methoxy-5-nitrophenoxy)propyl]-4-methylpiperazine","@language":"en","source":{"prov:wasGeneratedBy"… | group_key=1-(3-(2-methoxy-5-nitrophenoxy)propyl)-4-methylpiperazine||dimension=Environmental > media=Ground > geography=Unknown; cas=846023-54-9; added Common Chemistry CAS names as altLabel: 1-[3-(2-Methoxy-5-nitrophenoxy)propyl]-4-methylpiperazine, Piperazine, 1-[3-(2-methoxy-5-nitrophenoxy)propyl]-4-methyl-; object_uuid=fo-2f65cc11e8151413 |
| 258,833 | consensus_match | cas_match_labels | — | {"846023-54-9":"exactMatch"} | group_key=1-(3-(2-methoxy-5-nitrophenoxy)propyl)-4-methylpiperazine||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'846023-54-9': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2f65cc11e8151413: {'846023-54-9': 'exactMatch'} |
| 274,248 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H23N3O4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H23N3O4… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1-(3-(2-methoxy-5-nitrophenoxy)propyl)-4-methylpiperazine' |
| 280,672 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H23N3O4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H23N3O4… | rdkit_post_consensus from 'COc1ccc([N+](=O)[O-])cc1OCCCN1CCN(C)CC1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 311,961 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/26656708-084a-… | associations resolved on the elementary layer |
| 388,538 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H23N3O4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H23N3O4… | typed the way the ontology types it |
| 395,316 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
17 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/20260820T1812399309960000/2947 | prefLabel | ef:agent/bootstrap_labels | ef:flow/26656708-084a-49bb-894d-e7f9f6959d26/v0 | ef:flow/26656708-084a-49bb-894d-e7f9f6959d26/v1 |
| ef:activity/change/20260820T1812399309960000/2948 | name | ef:agent/bootstrap_labels | ef:flow/26656708-084a-49bb-894d-e7f9f6959d26/v1 | ef:flow/26656708-084a-49bb-894d-e7f9f6959d26/v2 |
| ef:activity/change/20260820T1812399309960000/2949 | synonyms | ef:agent/bootstrap_labels | ef:flow/26656708-084a-49bb-894d-e7f9f6959d26/v2 | ef:flow/26656708-084a-49bb-894d-e7f9f6959d26/v3 |
| ef:activity/change/20260820T1812399309960000/61898 | context | ef:agent/default_context_mapping | ef:flow/26656708-084a-49bb-894d-e7f9f6959d26/v3 | ef:flow/26656708-084a-49bb-894d-e7f9f6959d26/v4 |
| ef:activity/change/20260820T1812399309960000/61899 | context_iri | ef:agent/default_context_mapping | ef:flow/26656708-084a-49bb-894d-e7f9f6959d26/v4 | ef:flow/26656708-084a-49bb-894d-e7f9f6959d26/v5 |
| ef:activity/change/20260820T1812399309960000/214322 | unit_iri | ef:agent/unit_normalization | ef:flow/26656708-084a-49bb-894d-e7f9f6959d26/v5 | ef:flow/26656708-084a-49bb-894d-e7f9f6959d26/v6 |
| ef:activity/change/20260820T1812399309960000/230010 | properties | ef:agent/enrich_references | ef:flow/26656708-084a-49bb-894d-e7f9f6959d26/v6 | ef:flow/26656708-084a-49bb-894d-e7f9f6959d26/v7 |
| ef:activity/change/20260820T1812399309960000/230011 | skos_definition | ef:agent/enrich_references | ef:flow/26656708-084a-49bb-894d-e7f9f6959d26/v7 | ef:flow/26656708-084a-49bb-894d-e7f9f6959d26/v8 |
| ef:activity/change/20260820T1812399309960000/230012 | references | ef:agent/enrich_references | ef:flow/26656708-084a-49bb-894d-e7f9f6959d26/v8 | ef:flow/26656708-084a-49bb-894d-e7f9f6959d26/v9 |
| ef:activity/change/20260820T1812399309960000/249133 | properties | ef:agent/rdkit_pre_consensus | ef:flow/26656708-084a-49bb-894d-e7f9f6959d26/v9 | ef:flow/26656708-084a-49bb-894d-e7f9f6959d26/v10 |
| ef:activity/change/20260820T1812399309960000/258832 | altLabel | ef:agent/consensus_match | ef:flow/26656708-084a-49bb-894d-e7f9f6959d26/v10 | ef:flow/26656708-084a-49bb-894d-e7f9f6959d26/v11 |
| ef:activity/change/20260820T1812399309960000/258833 | cas_match_labels | ef:agent/consensus_match | ef:flow/26656708-084a-49bb-894d-e7f9f6959d26/v11 | ef:flow/26656708-084a-49bb-894d-e7f9f6959d26/v12 |
| ef:activity/change/20260820T1812399309960000/274248 | properties | ef:agent/opsin_iupac | ef:flow/26656708-084a-49bb-894d-e7f9f6959d26/v12 | ef:flow/26656708-084a-49bb-894d-e7f9f6959d26/v13 |
| ef:activity/change/20260820T1812399309960000/280672 | properties | ef:agent/rdkit_post_consensus | ef:flow/26656708-084a-49bb-894d-e7f9f6959d26/v13 | ef:flow/26656708-084a-49bb-894d-e7f9f6959d26/v14 |
| ef:activity/change/20260820T1812399309960000/311961 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/26656708-084a-49bb-894d-e7f9f6959d26/v14 | ef:flow/26656708-084a-49bb-894d-e7f9f6959d26/v15 |
| ef:activity/change/20260820T1812399309960000/388538 | properties | ef:agent/normalise_property_values | ef:flow/26656708-084a-49bb-894d-e7f9f6959d26/v15 | ef:flow/26656708-084a-49bb-894d-e7f9f6959d26/v16 |
| ef:activity/change/20260820T1812399309960000/395316 | types | ef:agent/link_flows_to_their_substance | ef:flow/26656708-084a-49bb-894d-e7f9f6959d26/v16 | ef:flow/26656708-084a-49bb-894d-e7f9f6959d26/v17 |