Heptanoic Acid, Ester With 2,2-dimethyl-1,3-propanediol
Everything that changed this flow. Back to the flow
2232b6d3-e0a0-4e41-b809-ddc07ac459bb
By field
13 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) |
| altLabel | 1 | consensus_match | group_key=heptanoicacid,esterwith2,2-dimethyl-1,3-propanediol||dimension=Environmental > media=Ground > geography=Agricultural; cas=68855-18-5; added Common Chemistry CAS names as altLabel: Truprotect Sun; object_uuid=fo-12f7faa94458a409 |
| cas_match_labels | 1 | consensus_match | group_key=heptanoicacid,esterwith2,2-dimethyl-1,3-propanediol||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'68855-18-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-12f7faa94458a409: {'68855-18-5': '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 water > Emissions to sea water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['68855-18-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[96846, 111656, 119728, 18348217]; selected_pubchem_cids=[111656]; 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
17| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 16,993 | bootstrap_labels | prefLabel | — | [{"@value":"heptanoic acid, ester with 2,2-dimethyl-1,3-propanediol","@language":"en","source":{"prov:wasGeneratedBy":"… | Bootstrapped prefLabel from legacy name field |
| 16,994 | bootstrap_labels | name | heptanoic acid, ester with 2,2-dimethyl-1,3-propanediol | — | Purged legacy name field to enforce prefLabel usage |
| 16,995 | bootstrap_labels | synonyms | ["organic","heptanoicacid,esterwith2,2-dimethyl-1,3-propanediol"] | [] | Removed legacy synonyms field in favor of structured labels |
| 59,448 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Ocean"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 59,449 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-ocea | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 218,912 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,980 | normalize_name_case | prefLabel | [{"@value":"heptanoic acid, ester with 2,2-dimethyl-1,3-propanediol","@language":"en","source":{"prov:wasGeneratedBy":"… | [{"@value":"Heptanoic Acid, Ester With 2,2-dimethyl-1,3-propanediol","@language":"en","source":{"prov:wasGeneratedBy":"… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 243,140 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H26O4"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 243,141 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 243,142 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.065.862","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['68855-18-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[96846, 111656, 119728, 18348217]; selected_pubchem_cids=[111656]; 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 |
| 252,912 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H26O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H26O4"]… | rdkit_pre_consensus from 'CCCCCCC(=O)O.CC(C)(CO)CO'; added: molecular_mass, monoisotopic_mass |
| 267,579 | consensus_match | altLabel | [] | [{"@value":"Truprotect Sun","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"… | group_key=heptanoicacid,esterwith2,2-dimethyl-1,3-propanediol||dimension=Environmental > media=Ground > geography=Agricultural; cas=68855-18-5; added Common Chemistry CAS names as altLabel: Truprotect Sun; object_uuid=fo-12f7faa94458a409 |
| 267,580 | consensus_match | cas_match_labels | — | {"68855-18-5":"exactMatch"} | group_key=heptanoicacid,esterwith2,2-dimethyl-1,3-propanediol||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'68855-18-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-12f7faa94458a409: {'68855-18-5': 'exactMatch'} |
| 284,854 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H26O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H26O4"]… | rdkit_post_consensus from 'CCCCCCC(=O)O.CC(C)(CO)CO'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 310,743 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/2232b6d3-e0a0-… | associations resolved on the elementary layer |
| 392,471 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H26O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H26O4"]… | typed the way the ontology types it |
| 400,961 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/MolecularComplex"] | the substance's answer, copied onto its flow |
PROV-O trail
17 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/20260822T0600486828500000/16993 | prefLabel | ef:agent/bootstrap_labels | ef:flow/2232b6d3-e0a0-4e41-b809-ddc07ac459bb/v0 | ef:flow/2232b6d3-e0a0-4e41-b809-ddc07ac459bb/v1 |
| ef:activity/change/20260822T0600486828500000/16994 | name | ef:agent/bootstrap_labels | ef:flow/2232b6d3-e0a0-4e41-b809-ddc07ac459bb/v1 | ef:flow/2232b6d3-e0a0-4e41-b809-ddc07ac459bb/v2 |
| ef:activity/change/20260822T0600486828500000/16995 | synonyms | ef:agent/bootstrap_labels | ef:flow/2232b6d3-e0a0-4e41-b809-ddc07ac459bb/v2 | ef:flow/2232b6d3-e0a0-4e41-b809-ddc07ac459bb/v3 |
| ef:activity/change/20260822T0600486828500000/59448 | context | ef:agent/default_context_mapping | ef:flow/2232b6d3-e0a0-4e41-b809-ddc07ac459bb/v3 | ef:flow/2232b6d3-e0a0-4e41-b809-ddc07ac459bb/v4 |
| ef:activity/change/20260822T0600486828500000/59449 | context_iri | ef:agent/default_context_mapping | ef:flow/2232b6d3-e0a0-4e41-b809-ddc07ac459bb/v4 | ef:flow/2232b6d3-e0a0-4e41-b809-ddc07ac459bb/v5 |
| ef:activity/change/20260822T0600486828500000/218912 | unit_iri | ef:agent/unit_normalization | ef:flow/2232b6d3-e0a0-4e41-b809-ddc07ac459bb/v5 | ef:flow/2232b6d3-e0a0-4e41-b809-ddc07ac459bb/v6 |
| ef:activity/change/20260822T0600486828500000/224980 | prefLabel | ef:agent/normalize_name_case | ef:flow/2232b6d3-e0a0-4e41-b809-ddc07ac459bb/v6 | ef:flow/2232b6d3-e0a0-4e41-b809-ddc07ac459bb/v7 |
| ef:activity/change/20260822T0600486828500000/243140 | properties | ef:agent/enrich_references | ef:flow/2232b6d3-e0a0-4e41-b809-ddc07ac459bb/v7 | ef:flow/2232b6d3-e0a0-4e41-b809-ddc07ac459bb/v8 |
| ef:activity/change/20260822T0600486828500000/243141 | skos_definition | ef:agent/enrich_references | ef:flow/2232b6d3-e0a0-4e41-b809-ddc07ac459bb/v8 | ef:flow/2232b6d3-e0a0-4e41-b809-ddc07ac459bb/v9 |
| ef:activity/change/20260822T0600486828500000/243142 | references | ef:agent/enrich_references | ef:flow/2232b6d3-e0a0-4e41-b809-ddc07ac459bb/v9 | ef:flow/2232b6d3-e0a0-4e41-b809-ddc07ac459bb/v10 |
| ef:activity/change/20260822T0600486828500000/252912 | properties | ef:agent/rdkit_pre_consensus | ef:flow/2232b6d3-e0a0-4e41-b809-ddc07ac459bb/v10 | ef:flow/2232b6d3-e0a0-4e41-b809-ddc07ac459bb/v11 |
| ef:activity/change/20260822T0600486828500000/267579 | altLabel | ef:agent/consensus_match | ef:flow/2232b6d3-e0a0-4e41-b809-ddc07ac459bb/v11 | ef:flow/2232b6d3-e0a0-4e41-b809-ddc07ac459bb/v12 |
| ef:activity/change/20260822T0600486828500000/267580 | cas_match_labels | ef:agent/consensus_match | ef:flow/2232b6d3-e0a0-4e41-b809-ddc07ac459bb/v12 | ef:flow/2232b6d3-e0a0-4e41-b809-ddc07ac459bb/v13 |
| ef:activity/change/20260822T0600486828500000/284854 | properties | ef:agent/rdkit_post_consensus | ef:flow/2232b6d3-e0a0-4e41-b809-ddc07ac459bb/v13 | ef:flow/2232b6d3-e0a0-4e41-b809-ddc07ac459bb/v14 |
| ef:activity/change/20260822T0600486828500000/310743 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/2232b6d3-e0a0-4e41-b809-ddc07ac459bb/v14 | ef:flow/2232b6d3-e0a0-4e41-b809-ddc07ac459bb/v15 |
| ef:activity/change/20260822T0600486828500000/392471 | properties | ef:agent/normalise_property_values | ef:flow/2232b6d3-e0a0-4e41-b809-ddc07ac459bb/v15 | ef:flow/2232b6d3-e0a0-4e41-b809-ddc07ac459bb/v16 |
| ef:activity/change/20260822T0600486828500000/400961 | types | ef:agent/link_flows_to_their_substance | ef:flow/2232b6d3-e0a0-4e41-b809-ddc07ac459bb/v16 | ef:flow/2232b6d3-e0a0-4e41-b809-ddc07ac459bb/v17 |