Decanoic Acid, Mixed Esters With Neopentyl Glycol And Octanoic Acid
Everything that changed this flow. Back to the flow
9886b20e-c896-4ad1-8e7e-e8dcb88af1eb
By field
12 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 4 | enrich_references, normalise_property_values, rdkit_post_consensus, rdkit_pre_consensus | typed the way the ontology types it |
| 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=decanoicacid,mixedesterswithneopentylglycolandoctanoicacid||dimension=Environmental > media=Air > strata=Long-term; group_sources=['ec_inventory']; cas_sources={'70693-32-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a2d2216533f6546c: {'70693-32-2': '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 |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['70693-32-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[116802, 822096, 90476527]; selected_pubchem_cids=[116802]; 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
16| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 18,242 | bootstrap_labels | prefLabel | — | [{"@value":"decanoic acid, mixed esters with neopentyl glycol and octanoic acid","@language":"en","source":{"prov:wasGe… | Bootstrapped prefLabel from legacy name field |
| 18,243 | bootstrap_labels | name | decanoic acid, mixed esters with neopentyl glycol and octanoic acid | — | Purged legacy name field to enforce prefLabel usage |
| 18,244 | bootstrap_labels | synonyms | ["organic","decanoicacid,mixedesterswithneopentylglycolandoctanoicacid","hatcol1191","soldoc2/80"] | [] | Removed legacy synonyms field in favor of structured labels |
| 140,378 | 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 |
| 140,379 | 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 |
| 219,306 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,253 | normalize_name_case | prefLabel | [{"@value":"decanoic acid, mixed esters with neopentyl glycol and octanoic acid","@language":"en","source":{"prov:wasGe… | [{"@value":"Decanoic Acid, Mixed Esters With Neopentyl Glycol And Octanoic Acid","@language":"en","source":{"prov:wasGe… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 244,247 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C23H48O6"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 244,248 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 244,249 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.067.946","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['70693-32-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[116802, 822096, 90476527]; selected_pubchem_cids=[116802]; 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 |
| 253,235 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C23H48O6"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C23H48O6"]… | rdkit_pre_consensus from 'CCCCCCCCCC(=O)O.CCCCCCCC(=O)O.CC(C)(CO)CO'; added: molecular_mass, monoisotopic_mass |
| 265,578 | consensus_match | cas_match_labels | — | {"70693-32-2":"exactMatch"} | group_key=decanoicacid,mixedesterswithneopentylglycolandoctanoicacid||dimension=Environmental > media=Air > strata=Long-term; group_sources=['ec_inventory']; cas_sources={'70693-32-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a2d2216533f6546c: {'70693-32-2': 'exactMatch'} |
| 285,207 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C23H48O6"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C23H48O6"]… | rdkit_post_consensus from 'CCCCCCCCCC(=O)O.CCCCCCCC(=O)O.CC(C)(CO)CO'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 351,190 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/9886b20e-c896-… | associations resolved on the elementary layer |
| 392,811 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C23H48O6"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C23H48O6"]… | typed the way the ontology types it |
| 401,457 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/MolecularComplex"] | the substance's answer, copied onto its flow |
PROV-O trail
16 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/20260821T1554374006150000/18242 | prefLabel | ef:agent/bootstrap_labels | ef:flow/9886b20e-c896-4ad1-8e7e-e8dcb88af1eb/v0 | ef:flow/9886b20e-c896-4ad1-8e7e-e8dcb88af1eb/v1 |
| ef:activity/change/20260821T1554374006150000/18243 | name | ef:agent/bootstrap_labels | ef:flow/9886b20e-c896-4ad1-8e7e-e8dcb88af1eb/v1 | ef:flow/9886b20e-c896-4ad1-8e7e-e8dcb88af1eb/v2 |
| ef:activity/change/20260821T1554374006150000/18244 | synonyms | ef:agent/bootstrap_labels | ef:flow/9886b20e-c896-4ad1-8e7e-e8dcb88af1eb/v2 | ef:flow/9886b20e-c896-4ad1-8e7e-e8dcb88af1eb/v3 |
| ef:activity/change/20260821T1554374006150000/140378 | context | ef:agent/default_context_mapping | ef:flow/9886b20e-c896-4ad1-8e7e-e8dcb88af1eb/v3 | ef:flow/9886b20e-c896-4ad1-8e7e-e8dcb88af1eb/v4 |
| ef:activity/change/20260821T1554374006150000/140379 | context_iri | ef:agent/default_context_mapping | ef:flow/9886b20e-c896-4ad1-8e7e-e8dcb88af1eb/v4 | ef:flow/9886b20e-c896-4ad1-8e7e-e8dcb88af1eb/v5 |
| ef:activity/change/20260821T1554374006150000/219306 | unit_iri | ef:agent/unit_normalization | ef:flow/9886b20e-c896-4ad1-8e7e-e8dcb88af1eb/v5 | ef:flow/9886b20e-c896-4ad1-8e7e-e8dcb88af1eb/v6 |
| ef:activity/change/20260821T1554374006150000/225253 | prefLabel | ef:agent/normalize_name_case | ef:flow/9886b20e-c896-4ad1-8e7e-e8dcb88af1eb/v6 | ef:flow/9886b20e-c896-4ad1-8e7e-e8dcb88af1eb/v7 |
| ef:activity/change/20260821T1554374006150000/244247 | properties | ef:agent/enrich_references | ef:flow/9886b20e-c896-4ad1-8e7e-e8dcb88af1eb/v7 | ef:flow/9886b20e-c896-4ad1-8e7e-e8dcb88af1eb/v8 |
| ef:activity/change/20260821T1554374006150000/244248 | skos_definition | ef:agent/enrich_references | ef:flow/9886b20e-c896-4ad1-8e7e-e8dcb88af1eb/v8 | ef:flow/9886b20e-c896-4ad1-8e7e-e8dcb88af1eb/v9 |
| ef:activity/change/20260821T1554374006150000/244249 | references | ef:agent/enrich_references | ef:flow/9886b20e-c896-4ad1-8e7e-e8dcb88af1eb/v9 | ef:flow/9886b20e-c896-4ad1-8e7e-e8dcb88af1eb/v10 |
| ef:activity/change/20260821T1554374006150000/253235 | properties | ef:agent/rdkit_pre_consensus | ef:flow/9886b20e-c896-4ad1-8e7e-e8dcb88af1eb/v10 | ef:flow/9886b20e-c896-4ad1-8e7e-e8dcb88af1eb/v11 |
| ef:activity/change/20260821T1554374006150000/265578 | cas_match_labels | ef:agent/consensus_match | ef:flow/9886b20e-c896-4ad1-8e7e-e8dcb88af1eb/v11 | ef:flow/9886b20e-c896-4ad1-8e7e-e8dcb88af1eb/v12 |
| ef:activity/change/20260821T1554374006150000/285207 | properties | ef:agent/rdkit_post_consensus | ef:flow/9886b20e-c896-4ad1-8e7e-e8dcb88af1eb/v12 | ef:flow/9886b20e-c896-4ad1-8e7e-e8dcb88af1eb/v13 |
| ef:activity/change/20260821T1554374006150000/351190 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/9886b20e-c896-4ad1-8e7e-e8dcb88af1eb/v13 | ef:flow/9886b20e-c896-4ad1-8e7e-e8dcb88af1eb/v14 |
| ef:activity/change/20260821T1554374006150000/392811 | properties | ef:agent/normalise_property_values | ef:flow/9886b20e-c896-4ad1-8e7e-e8dcb88af1eb/v14 | ef:flow/9886b20e-c896-4ad1-8e7e-e8dcb88af1eb/v15 |
| ef:activity/change/20260821T1554374006150000/401457 | types | ef:agent/link_flows_to_their_substance | ef:flow/9886b20e-c896-4ad1-8e7e-e8dcb88af1eb/v15 | ef:flow/9886b20e-c896-4ad1-8e7e-e8dcb88af1eb/v16 |