Propane-1,2,3-triyl Tris(3,5,5-trimethylhexanoate)
Everything that changed this flow. Back to the flow
4ce99618-2ce0-4edc-a8a8-049ecc03a7da
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 |
| 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=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; cas=56554-53-1; added Common Chemistry CAS names as altLabel: Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester; object_uuid=fo-ff8f0672c3a64108 |
| cas_match_labels | 1 | consensus_match | group_key=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'56554-53-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ff8f0672c3a64108: {'56554-53-1': '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 soil, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['56554-53-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[92447, 162760, 90473575]; selected_pubchem_cids=[92447]; 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 |
|---|---|---|---|---|---|
| 6,317 | bootstrap_labels | prefLabel | — | [{"@value":"propane-1,2,3-triyl tris(3,5,5-trimethylhexanoate)","@language":"en","source":{"prov:wasGeneratedBy":"boots… | Bootstrapped prefLabel from legacy name field |
| 6,318 | bootstrap_labels | name | propane-1,2,3-triyl tris(3,5,5-trimethylhexanoate) | — | Purged legacy name field to enforce prefLabel usage |
| 6,319 | bootstrap_labels | synonyms | ["organic","propane-1,2,3-triyl3,5,5-trimethylhexanoate","crodamoltinn","waglinol3/929"] | [] | Removed legacy synonyms field in favor of structured labels |
| 86,856 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 86,857 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 215,450 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,546 | normalize_name_case | prefLabel | [{"@value":"propane-1,2,3-triyl tris(3,5,5-trimethylhexanoate)","@language":"en","source":{"prov:wasGeneratedBy":"boots… | [{"@value":"Propane-1,2,3-triyl Tris(3,5,5-trimethylhexanoate)","@language":"en","source":{"prov:wasGeneratedBy":"boots… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 233,252 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C30H56O6"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 233,253 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 233,254 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J111.006C","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['56554-53-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[92447, 162760, 90473575]; selected_pubchem_cids=[92447]; 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 |
| 250,065 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C30H56O6"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C30H56O6"]… | rdkit_pre_consensus from 'CC(CC(=O)OCC(COC(=O)CC(C)CC(C)(C)C)OC(=O)CC(C)CC(C)(C)C)CC(C)(C)C'; added: molecular_mass, monoisotopic_mass |
| 271,019 | consensus_match | altLabel | [] | [{"@value":"Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester","@language":"en","source":{"prov:wasGeneratedBy"… | group_key=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; cas=56554-53-1; added Common Chemistry CAS names as altLabel: Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester; object_uuid=fo-ff8f0672c3a64108 |
| 271,020 | consensus_match | cas_match_labels | — | {"56554-53-1":"exactMatch"} | group_key=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'56554-53-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ff8f0672c3a64108: {'56554-53-1': 'exactMatch'} |
| 275,204 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C30H56O6"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C30H56O6"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Propane-1,2,3-triyl Tris(3,5,5-trimethylhexanoate)' |
| 281,704 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C30H56O6"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C30H56O6"]… | rdkit_post_consensus from 'CC(CC(=O)OCC(COC(=O)CC(C)CC(C)(C)C)OC(=O)CC(C)CC(C)(C)C)CC(C)(C)C'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 324,444 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4ce99618-2ce0-… | associations resolved on the elementary layer |
| 389,506 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C30H56O6"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C30H56O6"]… | typed the way the ontology types it |
| 396,693 | 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/20260821T1554374006150000/6317 | prefLabel | ef:agent/bootstrap_labels | ef:flow/4ce99618-2ce0-4edc-a8a8-049ecc03a7da/v0 | ef:flow/4ce99618-2ce0-4edc-a8a8-049ecc03a7da/v1 |
| ef:activity/change/20260821T1554374006150000/6318 | name | ef:agent/bootstrap_labels | ef:flow/4ce99618-2ce0-4edc-a8a8-049ecc03a7da/v1 | ef:flow/4ce99618-2ce0-4edc-a8a8-049ecc03a7da/v2 |
| ef:activity/change/20260821T1554374006150000/6319 | synonyms | ef:agent/bootstrap_labels | ef:flow/4ce99618-2ce0-4edc-a8a8-049ecc03a7da/v2 | ef:flow/4ce99618-2ce0-4edc-a8a8-049ecc03a7da/v3 |
| ef:activity/change/20260821T1554374006150000/86856 | context | ef:agent/default_context_mapping | ef:flow/4ce99618-2ce0-4edc-a8a8-049ecc03a7da/v3 | ef:flow/4ce99618-2ce0-4edc-a8a8-049ecc03a7da/v4 |
| ef:activity/change/20260821T1554374006150000/86857 | context_iri | ef:agent/default_context_mapping | ef:flow/4ce99618-2ce0-4edc-a8a8-049ecc03a7da/v4 | ef:flow/4ce99618-2ce0-4edc-a8a8-049ecc03a7da/v5 |
| ef:activity/change/20260821T1554374006150000/215450 | unit_iri | ef:agent/unit_normalization | ef:flow/4ce99618-2ce0-4edc-a8a8-049ecc03a7da/v5 | ef:flow/4ce99618-2ce0-4edc-a8a8-049ecc03a7da/v6 |
| ef:activity/change/20260821T1554374006150000/222546 | prefLabel | ef:agent/normalize_name_case | ef:flow/4ce99618-2ce0-4edc-a8a8-049ecc03a7da/v6 | ef:flow/4ce99618-2ce0-4edc-a8a8-049ecc03a7da/v7 |
| ef:activity/change/20260821T1554374006150000/233252 | properties | ef:agent/enrich_references | ef:flow/4ce99618-2ce0-4edc-a8a8-049ecc03a7da/v7 | ef:flow/4ce99618-2ce0-4edc-a8a8-049ecc03a7da/v8 |
| ef:activity/change/20260821T1554374006150000/233253 | skos_definition | ef:agent/enrich_references | ef:flow/4ce99618-2ce0-4edc-a8a8-049ecc03a7da/v8 | ef:flow/4ce99618-2ce0-4edc-a8a8-049ecc03a7da/v9 |
| ef:activity/change/20260821T1554374006150000/233254 | references | ef:agent/enrich_references | ef:flow/4ce99618-2ce0-4edc-a8a8-049ecc03a7da/v9 | ef:flow/4ce99618-2ce0-4edc-a8a8-049ecc03a7da/v10 |
| ef:activity/change/20260821T1554374006150000/250065 | properties | ef:agent/rdkit_pre_consensus | ef:flow/4ce99618-2ce0-4edc-a8a8-049ecc03a7da/v10 | ef:flow/4ce99618-2ce0-4edc-a8a8-049ecc03a7da/v11 |
| ef:activity/change/20260821T1554374006150000/271019 | altLabel | ef:agent/consensus_match | ef:flow/4ce99618-2ce0-4edc-a8a8-049ecc03a7da/v11 | ef:flow/4ce99618-2ce0-4edc-a8a8-049ecc03a7da/v12 |
| ef:activity/change/20260821T1554374006150000/271020 | cas_match_labels | ef:agent/consensus_match | ef:flow/4ce99618-2ce0-4edc-a8a8-049ecc03a7da/v12 | ef:flow/4ce99618-2ce0-4edc-a8a8-049ecc03a7da/v13 |
| ef:activity/change/20260821T1554374006150000/275204 | properties | ef:agent/opsin_iupac | ef:flow/4ce99618-2ce0-4edc-a8a8-049ecc03a7da/v13 | ef:flow/4ce99618-2ce0-4edc-a8a8-049ecc03a7da/v14 |
| ef:activity/change/20260821T1554374006150000/281704 | properties | ef:agent/rdkit_post_consensus | ef:flow/4ce99618-2ce0-4edc-a8a8-049ecc03a7da/v14 | ef:flow/4ce99618-2ce0-4edc-a8a8-049ecc03a7da/v15 |
| ef:activity/change/20260821T1554374006150000/324444 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/4ce99618-2ce0-4edc-a8a8-049ecc03a7da/v15 | ef:flow/4ce99618-2ce0-4edc-a8a8-049ecc03a7da/v16 |
| ef:activity/change/20260821T1554374006150000/389506 | properties | ef:agent/normalise_property_values | ef:flow/4ce99618-2ce0-4edc-a8a8-049ecc03a7da/v16 | ef:flow/4ce99618-2ce0-4edc-a8a8-049ecc03a7da/v17 |
| ef:activity/change/20260821T1554374006150000/396693 | types | ef:agent/link_flows_to_their_substance | ef:flow/4ce99618-2ce0-4edc-a8a8-049ecc03a7da/v17 | ef:flow/4ce99618-2ce0-4edc-a8a8-049ecc03a7da/v18 |