Heptan-2-one
Everything that changed this flow. Back to the flow
3e11f34f-88a9-4227-b498-afd23233a977
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 7313' (registry code) |
| 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=heptan-2-one||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'110-43-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-886d8e1bd8eb4a81: {'110-43-0': '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=['110-43-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_5672']; candidate_pubchem_cids=[8051, 14053792]; selected_pubchem_cids=[8051]; 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
20| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 13,670 | bootstrap_labels | prefLabel | — | [{"@value":"heptan-2-one","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"c… | Bootstrapped prefLabel from legacy name field |
| 13,671 | bootstrap_labels | name | heptan-2-one | — | Purged legacy name field to enforce prefLabel usage |
| 13,672 | bootstrap_labels | synonyms | ["2-HEPTANONE","AC1L1Q5I","AKOS000120708","Amyl methyl ketone","Amyl-methyl-cetone","BB_SC-6722","Butylacetone","H0037"… | [] | Removed legacy synonyms field in favor of structured labels |
| 77,480 | 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 |
| 77,481 | 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 |
| 217,855 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,262 | normalize_name_case | prefLabel | [{"@value":"heptan-2-one","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"c… | [{"@value":"Heptan-2-one","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"c… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 240,130 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O"],"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 240,131 | enrich_references | skos_definition | — | [{"@value":"A dialkyl ketone with methyl and pentyl as the alkyl groups.","@language":"en","provenance":{"prov:wasGener… | Merged ChEBI/PubChem definitions into skos:definition |
| 240,132 | enrich_references | references | [] | [{"@id":"gmelin:305860","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"con… | Added references with provenance; cas_numbers=['110-43-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_5672']; candidate_pubchem_cids=[8051, 14053792]; selected_pubchem_cids=[8051]; 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 |
| 252,043 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O"],"… | rdkit_pre_consensus from 'CCCCCC(=O)C'; added: monoisotopic_mass |
| 256,231 | chebi_altlabels | altLabel | [] | [{"@value":"2-Heptanone","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"con… | Added 6 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 267,571 | consensus_match | altLabel | [{"@value":"2-Heptanone","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"con… | [{"@value":"2-Heptanone","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"con… | group_key=heptan-2-one||dimension=Environmental > media=Water > water_body=Surface water; cas=110-43-0; added Common Chemistry CAS names as altLabel: 1-Methylhexanal, 2-Oxoheptane, Amyl methyl ketone, MAK, Methyl <em>n</em>-pentyl ketone, Methyl amyl ketone, NSC 7313, Pentyl methyl ketone; object_uuid=fo-886d8e1bd8eb4a81 |
| 267,572 | consensus_match | cas_match_labels | — | {"110-43-0":"exactMatch"} | group_key=heptan-2-one||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'110-43-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-886d8e1bd8eb4a81: {'110-43-0': 'exactMatch'} |
| 277,240 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Heptan-2-one' |
| 283,907 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O"],"… | rdkit_post_consensus from 'CCCCCC(C)=O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,059 | strip_catalogue_altlabels | altLabel | [{"@value":"2-Heptanone","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"con… | [{"@value":"2-Heptanone","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"con… | Removed 1 catalogue altLabel value(s): 'NSC 7313' (registry code) |
| 319,754 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/3e11f34f-88a9-… | associations resolved on the elementary layer |
| 391,589 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O"],"… | typed the way the ontology types it |
| 399,692 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
20 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/20260822T0600486828500000/13670 | prefLabel | ef:agent/bootstrap_labels | ef:flow/3e11f34f-88a9-4227-b498-afd23233a977/v0 | ef:flow/3e11f34f-88a9-4227-b498-afd23233a977/v1 |
| ef:activity/change/20260822T0600486828500000/13671 | name | ef:agent/bootstrap_labels | ef:flow/3e11f34f-88a9-4227-b498-afd23233a977/v1 | ef:flow/3e11f34f-88a9-4227-b498-afd23233a977/v2 |
| ef:activity/change/20260822T0600486828500000/13672 | synonyms | ef:agent/bootstrap_labels | ef:flow/3e11f34f-88a9-4227-b498-afd23233a977/v2 | ef:flow/3e11f34f-88a9-4227-b498-afd23233a977/v3 |
| ef:activity/change/20260822T0600486828500000/77480 | context | ef:agent/default_context_mapping | ef:flow/3e11f34f-88a9-4227-b498-afd23233a977/v3 | ef:flow/3e11f34f-88a9-4227-b498-afd23233a977/v4 |
| ef:activity/change/20260822T0600486828500000/77481 | context_iri | ef:agent/default_context_mapping | ef:flow/3e11f34f-88a9-4227-b498-afd23233a977/v4 | ef:flow/3e11f34f-88a9-4227-b498-afd23233a977/v5 |
| ef:activity/change/20260822T0600486828500000/217855 | unit_iri | ef:agent/unit_normalization | ef:flow/3e11f34f-88a9-4227-b498-afd23233a977/v5 | ef:flow/3e11f34f-88a9-4227-b498-afd23233a977/v6 |
| ef:activity/change/20260822T0600486828500000/224262 | prefLabel | ef:agent/normalize_name_case | ef:flow/3e11f34f-88a9-4227-b498-afd23233a977/v6 | ef:flow/3e11f34f-88a9-4227-b498-afd23233a977/v7 |
| ef:activity/change/20260822T0600486828500000/240130 | properties | ef:agent/enrich_references | ef:flow/3e11f34f-88a9-4227-b498-afd23233a977/v7 | ef:flow/3e11f34f-88a9-4227-b498-afd23233a977/v8 |
| ef:activity/change/20260822T0600486828500000/240131 | skos_definition | ef:agent/enrich_references | ef:flow/3e11f34f-88a9-4227-b498-afd23233a977/v8 | ef:flow/3e11f34f-88a9-4227-b498-afd23233a977/v9 |
| ef:activity/change/20260822T0600486828500000/240132 | references | ef:agent/enrich_references | ef:flow/3e11f34f-88a9-4227-b498-afd23233a977/v9 | ef:flow/3e11f34f-88a9-4227-b498-afd23233a977/v10 |
| ef:activity/change/20260822T0600486828500000/252043 | properties | ef:agent/rdkit_pre_consensus | ef:flow/3e11f34f-88a9-4227-b498-afd23233a977/v10 | ef:flow/3e11f34f-88a9-4227-b498-afd23233a977/v11 |
| ef:activity/change/20260822T0600486828500000/256231 | altLabel | ef:agent/chebi_altlabels | ef:flow/3e11f34f-88a9-4227-b498-afd23233a977/v11 | ef:flow/3e11f34f-88a9-4227-b498-afd23233a977/v12 |
| ef:activity/change/20260822T0600486828500000/267571 | altLabel | ef:agent/consensus_match | ef:flow/3e11f34f-88a9-4227-b498-afd23233a977/v12 | ef:flow/3e11f34f-88a9-4227-b498-afd23233a977/v13 |
| ef:activity/change/20260822T0600486828500000/267572 | cas_match_labels | ef:agent/consensus_match | ef:flow/3e11f34f-88a9-4227-b498-afd23233a977/v13 | ef:flow/3e11f34f-88a9-4227-b498-afd23233a977/v14 |
| ef:activity/change/20260822T0600486828500000/277240 | properties | ef:agent/opsin_iupac | ef:flow/3e11f34f-88a9-4227-b498-afd23233a977/v14 | ef:flow/3e11f34f-88a9-4227-b498-afd23233a977/v15 |
| ef:activity/change/20260822T0600486828500000/283907 | properties | ef:agent/rdkit_post_consensus | ef:flow/3e11f34f-88a9-4227-b498-afd23233a977/v15 | ef:flow/3e11f34f-88a9-4227-b498-afd23233a977/v16 |
| ef:activity/change/20260822T0600486828500000/290059 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/3e11f34f-88a9-4227-b498-afd23233a977/v16 | ef:flow/3e11f34f-88a9-4227-b498-afd23233a977/v17 |
| ef:activity/change/20260822T0600486828500000/319754 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/3e11f34f-88a9-4227-b498-afd23233a977/v17 | ef:flow/3e11f34f-88a9-4227-b498-afd23233a977/v18 |
| ef:activity/change/20260822T0600486828500000/391589 | properties | ef:agent/normalise_property_values | ef:flow/3e11f34f-88a9-4227-b498-afd23233a977/v18 | ef:flow/3e11f34f-88a9-4227-b498-afd23233a977/v19 |
| ef:activity/change/20260822T0600486828500000/399692 | types | ef:agent/link_flows_to_their_substance | ef:flow/3e11f34f-88a9-4227-b498-afd23233a977/v19 | ef:flow/3e11f34f-88a9-4227-b498-afd23233a977/v20 |