Dipentaerythritol Hexaesters Of Pentanoic, Heptanoic And 3,5,5 Trimethylhexanoic Acid
Everything that changed this flow. Back to the flow
ab759231-a1b8-4a97-b9e5-7ccc72194fb8
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 4 | enrich_references, rdkit_post_consensus, rdkit_pre_consensus, withhold_ambiguous_mass | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| altLabel | 2 | consensus_match, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| 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=dipentaerythritolhexaestersofpentanoic,heptanoicand3,5,5trimethylhexanoicacid||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'67762-52-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-d5dcfa0c4a069a29: {'67762-52-1': '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 soil > Emissions to non-agricultural soil |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['67762-52-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[105574, 49822942]; selected_pubchem_cids=[105574, 49822942]; 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 |
|---|---|---|---|---|---|
| 9,205 | bootstrap_labels | prefLabel | — | [{"@value":"dipentaerythritol hexaesters of pentanoic, heptanoic and 3,5,5 trimethylhexanoic acid","@language":"en","so… | Bootstrapped prefLabel from legacy name field |
| 9,206 | bootstrap_labels | name | dipentaerythritol hexaesters of pentanoic, heptanoic and 3,5,5 trimethylhexanoic acid | — | Purged legacy name field to enforce prefLabel usage |
| 9,207 | bootstrap_labels | synonyms | ["organic","fattyacids,c5-9,hexaesterswithdipentaerythritol"] | [] | Removed legacy synonyms field in favor of structured labels |
| 151,784 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Non-agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 151,785 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-noag | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 216,402 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,266 | normalize_name_case | prefLabel | [{"@value":"dipentaerythritol hexaesters of pentanoic, heptanoic and 3,5,5 trimethylhexanoic acid","@language":"en","so… | [{"@value":"Dipentaerythritol Hexaesters Of Pentanoic, Heptanoic And 3,5,5 Trimethylhexanoic Acid","@language":"en","so… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 235,988 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H30O8",… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=2) |
| 235,989 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 235,990 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.024.500","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['67762-52-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[105574, 49822942]; selected_pubchem_cids=[105574, 49822942]; 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 |
| 250,847 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H30O8",… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H30O8",… | rdkit_pre_consensus from 'CCCCC(=O)OCC(CO)(CO)COCC(CO)(CO)CO'; added: molecular_mass, monoisotopic_mass |
| 266,222 | consensus_match | altLabel | [] | [{"@value":"Carboxylic acids, C<sub>5-9</sub>, hexaesters with dipentaerythritol","@language":"en","source":{"prov:wasG… | group_key=dipentaerythritolhexaestersofpentanoic,heptanoicand3,5,5trimethylhexanoicacid||dimension=Environmental > media=Ground > geography=Unknown; cas=67762-52-1; added Common Chemistry CAS names as altLabel: Carboxylic acids, C<sub>5-9</sub>, hexaesters with dipentaerythritol, Fatty acids, C<sub>5-9</sub>, hexaesters with dipentaerythritol; object_uuid=fo-d5dcfa0c4a069a29 |
| 266,223 | consensus_match | cas_match_labels | — | {"67762-52-1":"exactMatch"} | group_key=dipentaerythritolhexaestersofpentanoic,heptanoicand3,5,5trimethylhexanoicacid||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'67762-52-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-d5dcfa0c4a069a29: {'67762-52-1': 'exactMatch'} |
| 282,604 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H30O8",… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H30O8",… | rdkit_post_consensus from 'CCCCC(=O)OCC(CO)(CO)COCC(CO)(CO)CO'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 286,903 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H30O8",… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H30O8",… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 292,429 | dedupe_altlabels | altLabel | [{"@value":"Carboxylic acids, C<sub>5-9</sub>, hexaesters with dipentaerythritol","@language":"en","source":{"prov:wasG… | [{"@value":"Carboxylic acids, C5-9, hexaesters with dipentaerythritol","@language":"en","source":{"prov:wasGeneratedBy"… | Deduplicated altLabel values and removed entries matching prefLabel |
| 356,915 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/ab759231-a1b8-… | associations resolved on the elementary layer |
| 397,964 | 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/20260822T0600486828500000/9205 | prefLabel | ef:agent/bootstrap_labels | ef:flow/ab759231-a1b8-4a97-b9e5-7ccc72194fb8/v0 | ef:flow/ab759231-a1b8-4a97-b9e5-7ccc72194fb8/v1 |
| ef:activity/change/20260822T0600486828500000/9206 | name | ef:agent/bootstrap_labels | ef:flow/ab759231-a1b8-4a97-b9e5-7ccc72194fb8/v1 | ef:flow/ab759231-a1b8-4a97-b9e5-7ccc72194fb8/v2 |
| ef:activity/change/20260822T0600486828500000/9207 | synonyms | ef:agent/bootstrap_labels | ef:flow/ab759231-a1b8-4a97-b9e5-7ccc72194fb8/v2 | ef:flow/ab759231-a1b8-4a97-b9e5-7ccc72194fb8/v3 |
| ef:activity/change/20260822T0600486828500000/151784 | context | ef:agent/default_context_mapping | ef:flow/ab759231-a1b8-4a97-b9e5-7ccc72194fb8/v3 | ef:flow/ab759231-a1b8-4a97-b9e5-7ccc72194fb8/v4 |
| ef:activity/change/20260822T0600486828500000/151785 | context_iri | ef:agent/default_context_mapping | ef:flow/ab759231-a1b8-4a97-b9e5-7ccc72194fb8/v4 | ef:flow/ab759231-a1b8-4a97-b9e5-7ccc72194fb8/v5 |
| ef:activity/change/20260822T0600486828500000/216402 | unit_iri | ef:agent/unit_normalization | ef:flow/ab759231-a1b8-4a97-b9e5-7ccc72194fb8/v5 | ef:flow/ab759231-a1b8-4a97-b9e5-7ccc72194fb8/v6 |
| ef:activity/change/20260822T0600486828500000/223266 | prefLabel | ef:agent/normalize_name_case | ef:flow/ab759231-a1b8-4a97-b9e5-7ccc72194fb8/v6 | ef:flow/ab759231-a1b8-4a97-b9e5-7ccc72194fb8/v7 |
| ef:activity/change/20260822T0600486828500000/235988 | properties | ef:agent/enrich_references | ef:flow/ab759231-a1b8-4a97-b9e5-7ccc72194fb8/v7 | ef:flow/ab759231-a1b8-4a97-b9e5-7ccc72194fb8/v8 |
| ef:activity/change/20260822T0600486828500000/235989 | skos_definition | ef:agent/enrich_references | ef:flow/ab759231-a1b8-4a97-b9e5-7ccc72194fb8/v8 | ef:flow/ab759231-a1b8-4a97-b9e5-7ccc72194fb8/v9 |
| ef:activity/change/20260822T0600486828500000/235990 | references | ef:agent/enrich_references | ef:flow/ab759231-a1b8-4a97-b9e5-7ccc72194fb8/v9 | ef:flow/ab759231-a1b8-4a97-b9e5-7ccc72194fb8/v10 |
| ef:activity/change/20260822T0600486828500000/250847 | properties | ef:agent/rdkit_pre_consensus | ef:flow/ab759231-a1b8-4a97-b9e5-7ccc72194fb8/v10 | ef:flow/ab759231-a1b8-4a97-b9e5-7ccc72194fb8/v11 |
| ef:activity/change/20260822T0600486828500000/266222 | altLabel | ef:agent/consensus_match | ef:flow/ab759231-a1b8-4a97-b9e5-7ccc72194fb8/v11 | ef:flow/ab759231-a1b8-4a97-b9e5-7ccc72194fb8/v12 |
| ef:activity/change/20260822T0600486828500000/266223 | cas_match_labels | ef:agent/consensus_match | ef:flow/ab759231-a1b8-4a97-b9e5-7ccc72194fb8/v12 | ef:flow/ab759231-a1b8-4a97-b9e5-7ccc72194fb8/v13 |
| ef:activity/change/20260822T0600486828500000/282604 | properties | ef:agent/rdkit_post_consensus | ef:flow/ab759231-a1b8-4a97-b9e5-7ccc72194fb8/v13 | ef:flow/ab759231-a1b8-4a97-b9e5-7ccc72194fb8/v14 |
| ef:activity/change/20260822T0600486828500000/286903 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/ab759231-a1b8-4a97-b9e5-7ccc72194fb8/v14 | ef:flow/ab759231-a1b8-4a97-b9e5-7ccc72194fb8/v15 |
| ef:activity/change/20260822T0600486828500000/292429 | altLabel | ef:agent/dedupe_altlabels | ef:flow/ab759231-a1b8-4a97-b9e5-7ccc72194fb8/v15 | ef:flow/ab759231-a1b8-4a97-b9e5-7ccc72194fb8/v16 |
| ef:activity/change/20260822T0600486828500000/356915 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/ab759231-a1b8-4a97-b9e5-7ccc72194fb8/v16 | ef:flow/ab759231-a1b8-4a97-b9e5-7ccc72194fb8/v17 |
| ef:activity/change/20260822T0600486828500000/397964 | types | ef:agent/link_flows_to_their_substance | ef:flow/ab759231-a1b8-4a97-b9e5-7ccc72194fb8/v17 | ef:flow/ab759231-a1b8-4a97-b9e5-7ccc72194fb8/v18 |