1-nitropropane
Everything that changed this flow. Back to the flow
c3b57753-3328-43f2-be18-ff03ad63410c
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 6363' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=1-nitropropane||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'108-03-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-43c687dc37ac7b8e: {'108-03-2': '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=['108-03-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[7903, 25146473]; selected_pubchem_cids=[7903]; 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 |
|---|---|---|---|---|---|
| 3,170 | bootstrap_labels | prefLabel | — | [{"@value":"1-nitropropane","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":… | Bootstrapped prefLabel from legacy name field |
| 3,171 | bootstrap_labels | name | 1-nitropropane | — | Purged legacy name field to enforce prefLabel usage |
| 23,687 | bootstrap_labels | synonyms | ["1-nitropropane","propane, 1-nitro-","1-nitropropan","1-NP","AB1003124","AC1L1PTF","AC1Q21TS","BB_SC-6933","CPD-8127",… | [] | Removed legacy synonyms field in favor of structured labels |
| 165,714 | 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 |
| 165,715 | 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 |
| 214,397 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 230,227 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H7NO2"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 230,228 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 230,229 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.413I","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['108-03-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[7903, 25146473]; selected_pubchem_cids=[7903]; 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 |
| 249,199 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H7NO2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H7NO2"],… | rdkit_pre_consensus from 'CCC[N+](=O)[O-]'; added: molecular_mass, monoisotopic_mass |
| 259,267 | consensus_match | altLabel | [] | [{"@value":"NSC 6363","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consen… | group_key=1-nitropropane||dimension=Environmental > media=Water > water_body=Unknown; cas=108-03-2; added Common Chemistry CAS names as altLabel: NSC 6363, Propane, 1-nitro-; object_uuid=fo-43c687dc37ac7b8e |
| 259,268 | consensus_match | cas_match_labels | — | {"108-03-2":"exactMatch"} | group_key=1-nitropropane||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'108-03-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-43c687dc37ac7b8e: {'108-03-2': 'exactMatch'} |
| 274,314 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H7NO2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H7NO2"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1-nitropropane' |
| 280,741 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H7NO2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H7NO2"],… | rdkit_post_consensus from 'CCC[N+](=O)[O-]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,877 | strip_catalogue_altlabels | altLabel | [{"@value":"NSC 6363","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consen… | [{"@value":"Propane, 1-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo… | Removed 1 catalogue altLabel value(s): 'NSC 6363' (registry code) |
| 363,876 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/c3b57753-3328-… | associations resolved on the elementary layer |
| 388,603 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H7NO2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H7NO2"],… | typed the way the ontology types it |
| 395,410 | 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/20260821T0609040591070000/3170 | prefLabel | ef:agent/bootstrap_labels | ef:flow/c3b57753-3328-43f2-be18-ff03ad63410c/v0 | ef:flow/c3b57753-3328-43f2-be18-ff03ad63410c/v1 |
| ef:activity/change/20260821T0609040591070000/3171 | name | ef:agent/bootstrap_labels | ef:flow/c3b57753-3328-43f2-be18-ff03ad63410c/v1 | ef:flow/c3b57753-3328-43f2-be18-ff03ad63410c/v2 |
| ef:activity/change/20260821T0609040591070000/23687 | synonyms | ef:agent/bootstrap_labels | ef:flow/c3b57753-3328-43f2-be18-ff03ad63410c/v2 | ef:flow/c3b57753-3328-43f2-be18-ff03ad63410c/v3 |
| ef:activity/change/20260821T0609040591070000/165714 | context | ef:agent/default_context_mapping | ef:flow/c3b57753-3328-43f2-be18-ff03ad63410c/v3 | ef:flow/c3b57753-3328-43f2-be18-ff03ad63410c/v4 |
| ef:activity/change/20260821T0609040591070000/165715 | context_iri | ef:agent/default_context_mapping | ef:flow/c3b57753-3328-43f2-be18-ff03ad63410c/v4 | ef:flow/c3b57753-3328-43f2-be18-ff03ad63410c/v5 |
| ef:activity/change/20260821T0609040591070000/214397 | unit_iri | ef:agent/unit_normalization | ef:flow/c3b57753-3328-43f2-be18-ff03ad63410c/v5 | ef:flow/c3b57753-3328-43f2-be18-ff03ad63410c/v6 |
| ef:activity/change/20260821T0609040591070000/230227 | properties | ef:agent/enrich_references | ef:flow/c3b57753-3328-43f2-be18-ff03ad63410c/v6 | ef:flow/c3b57753-3328-43f2-be18-ff03ad63410c/v7 |
| ef:activity/change/20260821T0609040591070000/230228 | skos_definition | ef:agent/enrich_references | ef:flow/c3b57753-3328-43f2-be18-ff03ad63410c/v7 | ef:flow/c3b57753-3328-43f2-be18-ff03ad63410c/v8 |
| ef:activity/change/20260821T0609040591070000/230229 | references | ef:agent/enrich_references | ef:flow/c3b57753-3328-43f2-be18-ff03ad63410c/v8 | ef:flow/c3b57753-3328-43f2-be18-ff03ad63410c/v9 |
| ef:activity/change/20260821T0609040591070000/249199 | properties | ef:agent/rdkit_pre_consensus | ef:flow/c3b57753-3328-43f2-be18-ff03ad63410c/v9 | ef:flow/c3b57753-3328-43f2-be18-ff03ad63410c/v10 |
| ef:activity/change/20260821T0609040591070000/259267 | altLabel | ef:agent/consensus_match | ef:flow/c3b57753-3328-43f2-be18-ff03ad63410c/v10 | ef:flow/c3b57753-3328-43f2-be18-ff03ad63410c/v11 |
| ef:activity/change/20260821T0609040591070000/259268 | cas_match_labels | ef:agent/consensus_match | ef:flow/c3b57753-3328-43f2-be18-ff03ad63410c/v11 | ef:flow/c3b57753-3328-43f2-be18-ff03ad63410c/v12 |
| ef:activity/change/20260821T0609040591070000/274314 | properties | ef:agent/opsin_iupac | ef:flow/c3b57753-3328-43f2-be18-ff03ad63410c/v12 | ef:flow/c3b57753-3328-43f2-be18-ff03ad63410c/v13 |
| ef:activity/change/20260821T0609040591070000/280741 | properties | ef:agent/rdkit_post_consensus | ef:flow/c3b57753-3328-43f2-be18-ff03ad63410c/v13 | ef:flow/c3b57753-3328-43f2-be18-ff03ad63410c/v14 |
| ef:activity/change/20260821T0609040591070000/287877 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/c3b57753-3328-43f2-be18-ff03ad63410c/v14 | ef:flow/c3b57753-3328-43f2-be18-ff03ad63410c/v15 |
| ef:activity/change/20260821T0609040591070000/363876 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/c3b57753-3328-43f2-be18-ff03ad63410c/v15 | ef:flow/c3b57753-3328-43f2-be18-ff03ad63410c/v16 |
| ef:activity/change/20260821T0609040591070000/388603 | properties | ef:agent/normalise_property_values | ef:flow/c3b57753-3328-43f2-be18-ff03ad63410c/v16 | ef:flow/c3b57753-3328-43f2-be18-ff03ad63410c/v17 |
| ef:activity/change/20260821T0609040591070000/395410 | types | ef:agent/link_flows_to_their_substance | ef:flow/c3b57753-3328-43f2-be18-ff03ad63410c/v17 | ef:flow/c3b57753-3328-43f2-be18-ff03ad63410c/v18 |