Tridecan-2-one
Everything that changed this flow. Back to the flow
e094e13c-8cec-4e2f-a91b-e668f9a9f3b4
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 | chebi_altlabels, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 14763' (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=tridecan-2-one||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'593-08-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b23467779224a118: {'593-08-8': '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 air, indoor |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['593-08-8']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_77928']; candidate_pubchem_cids=[11622]; selected_pubchem_cids=[11622]; 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
19| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 873 | bootstrap_labels | prefLabel | — | [{"@value":"tridecan-2-one","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":… | Bootstrapped prefLabel from legacy name field |
| 874 | bootstrap_labels | name | tridecan-2-one | — | Purged legacy name field to enforce prefLabel usage |
| 23,216 | bootstrap_labels | synonyms | ["tridecan-2-one","2-tridecanone","2-TRIDECANONE","2-Tridecankje","AC1L1XR9","CPD-7901","Hendecyl methyl ketone","I14-6… | [] | Removed legacy synonyms field in favor of structured labels |
| 183,574 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 183,575 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 213,632 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,300 | normalize_name_case | prefLabel | [{"@value":"tridecan-2-one","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":… | [{"@value":"Tridecan-2-one","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 228,015 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H26O"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 228,016 | enrich_references | skos_definition | — | [{"@value":"A methyl ketone that is tridecane in which the methylene hydrogens at position 2 are replaced by an oxo gro… | Merged ChEBI/PubChem definitions into skos:definition |
| 228,017 | enrich_references | references | [] | [{"@id":"bpdb:2981","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"consens… | Added references with provenance; cas_numbers=['593-08-8']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_77928']; candidate_pubchem_cids=[11622]; selected_pubchem_cids=[11622]; 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 |
| 248,561 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H26O"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H26O"],… | rdkit_pre_consensus from 'CCCCCCCCCCCC(=O)C'; added: monoisotopic_mass |
| 254,499 | chebi_altlabels | altLabel | [] | [{"@value":"2-Tridecanone","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"c… | Added 7 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 272,905 | consensus_match | cas_match_labels | — | {"593-08-8":"exactMatch"} | group_key=tridecan-2-one||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'593-08-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b23467779224a118: {'593-08-8': 'exactMatch'} |
| 273,699 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H26O"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H26O"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Tridecan-2-one' |
| 280,069 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H26O"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H26O"],… | rdkit_post_consensus from 'CCCCCCCCCCCC(C)=O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,452 | strip_catalogue_altlabels | altLabel | [{"@value":"2-Tridecanone","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"c… | [{"@value":"2-Tridecanone","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"c… | Removed 1 catalogue altLabel value(s): 'NSC 14763' (registry code) |
| 372,834 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/e094e13c-8cec-… | associations resolved on the elementary layer |
| 387,979 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H26O"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H26O"],… | typed the way the ontology types it |
| 394,536 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
19 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/20260820T1416470405690000/873 | prefLabel | ef:agent/bootstrap_labels | ef:flow/e094e13c-8cec-4e2f-a91b-e668f9a9f3b4/v0 | ef:flow/e094e13c-8cec-4e2f-a91b-e668f9a9f3b4/v1 |
| ef:activity/change/20260820T1416470405690000/874 | name | ef:agent/bootstrap_labels | ef:flow/e094e13c-8cec-4e2f-a91b-e668f9a9f3b4/v1 | ef:flow/e094e13c-8cec-4e2f-a91b-e668f9a9f3b4/v2 |
| ef:activity/change/20260820T1416470405690000/23216 | synonyms | ef:agent/bootstrap_labels | ef:flow/e094e13c-8cec-4e2f-a91b-e668f9a9f3b4/v2 | ef:flow/e094e13c-8cec-4e2f-a91b-e668f9a9f3b4/v3 |
| ef:activity/change/20260820T1416470405690000/183574 | context | ef:agent/default_context_mapping | ef:flow/e094e13c-8cec-4e2f-a91b-e668f9a9f3b4/v3 | ef:flow/e094e13c-8cec-4e2f-a91b-e668f9a9f3b4/v4 |
| ef:activity/change/20260820T1416470405690000/183575 | context_iri | ef:agent/default_context_mapping | ef:flow/e094e13c-8cec-4e2f-a91b-e668f9a9f3b4/v4 | ef:flow/e094e13c-8cec-4e2f-a91b-e668f9a9f3b4/v5 |
| ef:activity/change/20260820T1416470405690000/213632 | unit_iri | ef:agent/unit_normalization | ef:flow/e094e13c-8cec-4e2f-a91b-e668f9a9f3b4/v5 | ef:flow/e094e13c-8cec-4e2f-a91b-e668f9a9f3b4/v6 |
| ef:activity/change/20260820T1416470405690000/221300 | prefLabel | ef:agent/normalize_name_case | ef:flow/e094e13c-8cec-4e2f-a91b-e668f9a9f3b4/v6 | ef:flow/e094e13c-8cec-4e2f-a91b-e668f9a9f3b4/v7 |
| ef:activity/change/20260820T1416470405690000/228015 | properties | ef:agent/enrich_references | ef:flow/e094e13c-8cec-4e2f-a91b-e668f9a9f3b4/v7 | ef:flow/e094e13c-8cec-4e2f-a91b-e668f9a9f3b4/v8 |
| ef:activity/change/20260820T1416470405690000/228016 | skos_definition | ef:agent/enrich_references | ef:flow/e094e13c-8cec-4e2f-a91b-e668f9a9f3b4/v8 | ef:flow/e094e13c-8cec-4e2f-a91b-e668f9a9f3b4/v9 |
| ef:activity/change/20260820T1416470405690000/228017 | references | ef:agent/enrich_references | ef:flow/e094e13c-8cec-4e2f-a91b-e668f9a9f3b4/v9 | ef:flow/e094e13c-8cec-4e2f-a91b-e668f9a9f3b4/v10 |
| ef:activity/change/20260820T1416470405690000/248561 | properties | ef:agent/rdkit_pre_consensus | ef:flow/e094e13c-8cec-4e2f-a91b-e668f9a9f3b4/v10 | ef:flow/e094e13c-8cec-4e2f-a91b-e668f9a9f3b4/v11 |
| ef:activity/change/20260820T1416470405690000/254499 | altLabel | ef:agent/chebi_altlabels | ef:flow/e094e13c-8cec-4e2f-a91b-e668f9a9f3b4/v11 | ef:flow/e094e13c-8cec-4e2f-a91b-e668f9a9f3b4/v12 |
| ef:activity/change/20260820T1416470405690000/272905 | cas_match_labels | ef:agent/consensus_match | ef:flow/e094e13c-8cec-4e2f-a91b-e668f9a9f3b4/v12 | ef:flow/e094e13c-8cec-4e2f-a91b-e668f9a9f3b4/v13 |
| ef:activity/change/20260820T1416470405690000/273699 | properties | ef:agent/opsin_iupac | ef:flow/e094e13c-8cec-4e2f-a91b-e668f9a9f3b4/v13 | ef:flow/e094e13c-8cec-4e2f-a91b-e668f9a9f3b4/v14 |
| ef:activity/change/20260820T1416470405690000/280069 | properties | ef:agent/rdkit_post_consensus | ef:flow/e094e13c-8cec-4e2f-a91b-e668f9a9f3b4/v14 | ef:flow/e094e13c-8cec-4e2f-a91b-e668f9a9f3b4/v15 |
| ef:activity/change/20260820T1416470405690000/287452 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/e094e13c-8cec-4e2f-a91b-e668f9a9f3b4/v15 | ef:flow/e094e13c-8cec-4e2f-a91b-e668f9a9f3b4/v16 |
| ef:activity/change/20260820T1416470405690000/372834 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/e094e13c-8cec-4e2f-a91b-e668f9a9f3b4/v16 | ef:flow/e094e13c-8cec-4e2f-a91b-e668f9a9f3b4/v17 |
| ef:activity/change/20260820T1416470405690000/387979 | properties | ef:agent/normalise_property_values | ef:flow/e094e13c-8cec-4e2f-a91b-e668f9a9f3b4/v17 | ef:flow/e094e13c-8cec-4e2f-a91b-e668f9a9f3b4/v18 |
| ef:activity/change/20260820T1416470405690000/394536 | types | ef:agent/link_flows_to_their_substance | ef:flow/e094e13c-8cec-4e2f-a91b-e668f9a9f3b4/v18 | ef:flow/e094e13c-8cec-4e2f-a91b-e668f9a9f3b4/v19 |