N-methylmorpholine N-oxide
Everything that changed this flow. Back to the flow
6b1fce50-04cb-4d39-98ce-c7220188220f
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 | 4 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 3 catalogue altLabel value(s): 'ANG 05911' (grade code), 'NSC 73198' (registry code), 'NSC 82153' (registry code) |
| prefLabel | 2 | bootstrap_labels, consensus_match | cas=7529-22-8; cc_chebi_agreed_name='N-methylmorpholine N-oxide'; object_uuid=fo-2a6687152d06fcea |
| cas_match_labels | 1 | consensus_match | group_key=4-methylmorpholine4-oxide||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'7529-22-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2a6687152d06fcea: {'7529-22-8': '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 non-urban air or from high stacks |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['7529-22-8']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_52093']; candidate_pubchem_cids=[7972, 82029, 2724197, 22973188]; selected_pubchem_cids=[82029]; 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
21| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 16,683 | bootstrap_labels | prefLabel | — | [{"@value":"4-methylmorpholine 4-oxide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAt… | Bootstrapped prefLabel from legacy name field |
| 16,684 | bootstrap_labels | name | 4-methylmorpholine 4-oxide | — | Purged legacy name field to enforce prefLabel usage |
| 16,685 | bootstrap_labels | synonyms | ["organic","4-methylmorpholine4-oxidemonohydrate","4-methylmorpholine4-oxide,monohydrate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 113,558 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Medium stack, <150 meters","population_density":"Rural (<1000 peop… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 113,559 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-mest15me-ru10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 218,812 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 242,861 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H11NO2"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 242,862 | enrich_references | skos_definition | — | [{"@value":"A morpholine N-oxide resulting from the oxidation of the amino group of N-methylmorpholine.","@language":"e… | Merged ChEBI/PubChem definitions into skos:definition |
| 242,863 | enrich_references | references | [] | [{"@id":"beilstein:507437","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['7529-22-8']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_52093']; candidate_pubchem_cids=[7972, 82029, 2724197, 22973188]; selected_pubchem_cids=[82029]; 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 |
| 252,835 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H11NO2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H11NO2"]… | rdkit_pre_consensus from 'C[N+]1(CCOCC1)[O-]'; added: monoisotopic_mass |
| 256,584 | chebi_altlabels | altLabel | [] | [{"@value":"4-Methylmorpholine N-oxide","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAtt… | Added 5 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 262,841 | consensus_match | prefLabel | [{"@value":"4-methylmorpholine 4-oxide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAt… | [{"@value":"N-methylmorpholine N-oxide","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAtt… | cas=7529-22-8; cc_chebi_agreed_name='N-methylmorpholine N-oxide'; object_uuid=fo-2a6687152d06fcea |
| 262,842 | consensus_match | altLabel | [{"@value":"4-Methylmorpholine N-oxide","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAtt… | [{"@value":"4-Methylmorpholine N-oxide","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAtt… | cas=7529-22-8; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-2a6687152d06fcea |
| 262,843 | consensus_match | altLabel | [{"@value":"4-Methylmorpholine N-oxide","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAtt… | [{"@value":"4-Methylmorpholine N-oxide","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAtt… | group_key=4-methylmorpholine4-oxide||dimension=Environmental > media=Ground > geography=Unknown; cas=7529-22-8; added Common Chemistry CAS names as altLabel: 4-Methylmorpholine oxide, ANG 05911, Morpholine, 4-methyl-, 4-oxide, NMMO, NSC 73198, NSC 82153; object_uuid=fo-2a6687152d06fcea |
| 262,844 | consensus_match | cas_match_labels | — | {"7529-22-8":"exactMatch"} | group_key=4-methylmorpholine4-oxide||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'7529-22-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2a6687152d06fcea: {'7529-22-8': 'exactMatch'} |
| 278,039 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H11NO2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H11NO2"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'N-methylmorpholine N-oxide' |
| 284,769 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H11NO2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H11NO2"]… | rdkit_post_consensus from 'C[N+]1([O-])CCOCC1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,644 | strip_catalogue_altlabels | altLabel | [{"@value":"4-Methylmorpholine N-oxide","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAtt… | [{"@value":"4-Methylmorpholine N-oxide","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAtt… | Removed 3 catalogue altLabel value(s): 'ANG 05911' (grade code), 'NSC 73198' (registry code), 'NSC 82153' (registry code) |
| 337,778 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/6b1fce50-04cb-… | associations resolved on the elementary layer |
| 392,396 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H11NO2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H11NO2"]… | typed the way the ontology types it |
| 400,842 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
21 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/20260822T0600486828500000/16683 | prefLabel | ef:agent/bootstrap_labels | ef:flow/6b1fce50-04cb-4d39-98ce-c7220188220f/v0 | ef:flow/6b1fce50-04cb-4d39-98ce-c7220188220f/v1 |
| ef:activity/change/20260822T0600486828500000/16684 | name | ef:agent/bootstrap_labels | ef:flow/6b1fce50-04cb-4d39-98ce-c7220188220f/v1 | ef:flow/6b1fce50-04cb-4d39-98ce-c7220188220f/v2 |
| ef:activity/change/20260822T0600486828500000/16685 | synonyms | ef:agent/bootstrap_labels | ef:flow/6b1fce50-04cb-4d39-98ce-c7220188220f/v2 | ef:flow/6b1fce50-04cb-4d39-98ce-c7220188220f/v3 |
| ef:activity/change/20260822T0600486828500000/113558 | context | ef:agent/default_context_mapping | ef:flow/6b1fce50-04cb-4d39-98ce-c7220188220f/v3 | ef:flow/6b1fce50-04cb-4d39-98ce-c7220188220f/v4 |
| ef:activity/change/20260822T0600486828500000/113559 | context_iri | ef:agent/default_context_mapping | ef:flow/6b1fce50-04cb-4d39-98ce-c7220188220f/v4 | ef:flow/6b1fce50-04cb-4d39-98ce-c7220188220f/v5 |
| ef:activity/change/20260822T0600486828500000/218812 | unit_iri | ef:agent/unit_normalization | ef:flow/6b1fce50-04cb-4d39-98ce-c7220188220f/v5 | ef:flow/6b1fce50-04cb-4d39-98ce-c7220188220f/v6 |
| ef:activity/change/20260822T0600486828500000/242861 | properties | ef:agent/enrich_references | ef:flow/6b1fce50-04cb-4d39-98ce-c7220188220f/v6 | ef:flow/6b1fce50-04cb-4d39-98ce-c7220188220f/v7 |
| ef:activity/change/20260822T0600486828500000/242862 | skos_definition | ef:agent/enrich_references | ef:flow/6b1fce50-04cb-4d39-98ce-c7220188220f/v7 | ef:flow/6b1fce50-04cb-4d39-98ce-c7220188220f/v8 |
| ef:activity/change/20260822T0600486828500000/242863 | references | ef:agent/enrich_references | ef:flow/6b1fce50-04cb-4d39-98ce-c7220188220f/v8 | ef:flow/6b1fce50-04cb-4d39-98ce-c7220188220f/v9 |
| ef:activity/change/20260822T0600486828500000/252835 | properties | ef:agent/rdkit_pre_consensus | ef:flow/6b1fce50-04cb-4d39-98ce-c7220188220f/v9 | ef:flow/6b1fce50-04cb-4d39-98ce-c7220188220f/v10 |
| ef:activity/change/20260822T0600486828500000/256584 | altLabel | ef:agent/chebi_altlabels | ef:flow/6b1fce50-04cb-4d39-98ce-c7220188220f/v10 | ef:flow/6b1fce50-04cb-4d39-98ce-c7220188220f/v11 |
| ef:activity/change/20260822T0600486828500000/262841 | prefLabel | ef:agent/consensus_match | ef:flow/6b1fce50-04cb-4d39-98ce-c7220188220f/v11 | ef:flow/6b1fce50-04cb-4d39-98ce-c7220188220f/v12 |
| ef:activity/change/20260822T0600486828500000/262842 | altLabel | ef:agent/consensus_match | ef:flow/6b1fce50-04cb-4d39-98ce-c7220188220f/v12 | ef:flow/6b1fce50-04cb-4d39-98ce-c7220188220f/v13 |
| ef:activity/change/20260822T0600486828500000/262843 | altLabel | ef:agent/consensus_match | ef:flow/6b1fce50-04cb-4d39-98ce-c7220188220f/v13 | ef:flow/6b1fce50-04cb-4d39-98ce-c7220188220f/v14 |
| ef:activity/change/20260822T0600486828500000/262844 | cas_match_labels | ef:agent/consensus_match | ef:flow/6b1fce50-04cb-4d39-98ce-c7220188220f/v14 | ef:flow/6b1fce50-04cb-4d39-98ce-c7220188220f/v15 |
| ef:activity/change/20260822T0600486828500000/278039 | properties | ef:agent/opsin_iupac | ef:flow/6b1fce50-04cb-4d39-98ce-c7220188220f/v15 | ef:flow/6b1fce50-04cb-4d39-98ce-c7220188220f/v16 |
| ef:activity/change/20260822T0600486828500000/284769 | properties | ef:agent/rdkit_post_consensus | ef:flow/6b1fce50-04cb-4d39-98ce-c7220188220f/v16 | ef:flow/6b1fce50-04cb-4d39-98ce-c7220188220f/v17 |
| ef:activity/change/20260822T0600486828500000/290644 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/6b1fce50-04cb-4d39-98ce-c7220188220f/v17 | ef:flow/6b1fce50-04cb-4d39-98ce-c7220188220f/v18 |
| ef:activity/change/20260822T0600486828500000/337778 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/6b1fce50-04cb-4d39-98ce-c7220188220f/v18 | ef:flow/6b1fce50-04cb-4d39-98ce-c7220188220f/v19 |
| ef:activity/change/20260822T0600486828500000/392396 | properties | ef:agent/normalise_property_values | ef:flow/6b1fce50-04cb-4d39-98ce-c7220188220f/v19 | ef:flow/6b1fce50-04cb-4d39-98ce-c7220188220f/v20 |
| ef:activity/change/20260822T0600486828500000/400842 | types | ef:agent/link_flows_to_their_substance | ef:flow/6b1fce50-04cb-4d39-98ce-c7220188220f/v20 | ef:flow/6b1fce50-04cb-4d39-98ce-c7220188220f/v21 |