Propanoic Acid, 2-hydroxy-, Octyl Ester
Everything that changed this flow. Back to the flow
598f5ff4-592f-4bf3-a642-ed1cb71f15f8
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 | consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 15443' (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=propanoicacid,2-hydroxy-,octylester||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'5464-71-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6efb6b3abe68bcfd: {'5464-71-1': '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 air > Emissions to air, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['5464-71-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[95499, 170994, 214648]; selected_pubchem_cids=[95499]; 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 |
|---|---|---|---|---|---|
| 12,901 | bootstrap_labels | prefLabel | — | [{"@value":"propanoic acid, 2-hydroxy-, octyl ester","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels… | Bootstrapped prefLabel from legacy name field |
| 12,902 | bootstrap_labels | name | propanoic acid, 2-hydroxy-, octyl ester | — | Purged legacy name field to enforce prefLabel usage |
| 12,903 | bootstrap_labels | synonyms | ["AC1L3UGI","AC1Q6779","Propanoic acid, 2-hydroxy-, octyl ester, (S)-","octyl 2-hydroxypropanoate","octyl lactate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 103,024 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 103,025 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 217,605 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,079 | normalize_name_case | prefLabel | [{"@value":"propanoic acid, 2-hydroxy-, octyl ester","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels… | [{"@value":"Propanoic Acid, 2-hydroxy-, Octyl Ester","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 239,425 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H22O3"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 239,426 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 239,427 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.586.942I","provenance":{"prov:wasGeneratedBy":"enrich_refer… | Added references with provenance; cas_numbers=['5464-71-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[95499, 170994, 214648]; selected_pubchem_cids=[95499]; 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 |
| 251,837 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H22O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H22O3"]… | rdkit_pre_consensus from 'CCCCCCCCOC(=O)C(C)O'; added: molecular_mass, monoisotopic_mass |
| 271,059 | consensus_match | altLabel | [] | [{"@value":"Lactic acid, octyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttri… | group_key=propanoicacid,2-hydroxy-,octylester||dimension=Environmental > media=Ground > geography=Unknown; cas=5464-71-1; added Common Chemistry CAS names as altLabel: Lactic acid, octyl ester, NSC 15443, Octyl (±)-lactate, Octyl lactate; object_uuid=fo-6efb6b3abe68bcfd |
| 271,060 | consensus_match | cas_match_labels | — | {"5464-71-1":"exactMatch"} | group_key=propanoicacid,2-hydroxy-,octylester||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'5464-71-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6efb6b3abe68bcfd: {'5464-71-1': 'exactMatch'} |
| 277,029 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H22O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H22O3"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Propanoic Acid, 2-hydroxy-, Octyl Ester' |
| 283,681 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H22O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H22O3"]… | rdkit_post_consensus from 'CCCCCCCCOC(=O)C(C)O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,907 | strip_catalogue_altlabels | altLabel | [{"@value":"Lactic acid, octyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttri… | [{"@value":"Lactic acid, octyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttri… | Removed 1 catalogue altLabel value(s): 'NSC 15443' (registry code) |
| 332,509 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/598f5ff4-592f-… | associations resolved on the elementary layer |
| 391,381 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H22O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H22O3"]… | typed the way the ontology types it |
| 399,387 | 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/20260821T1554374006150000/12901 | prefLabel | ef:agent/bootstrap_labels | ef:flow/598f5ff4-592f-4bf3-a642-ed1cb71f15f8/v0 | ef:flow/598f5ff4-592f-4bf3-a642-ed1cb71f15f8/v1 |
| ef:activity/change/20260821T1554374006150000/12902 | name | ef:agent/bootstrap_labels | ef:flow/598f5ff4-592f-4bf3-a642-ed1cb71f15f8/v1 | ef:flow/598f5ff4-592f-4bf3-a642-ed1cb71f15f8/v2 |
| ef:activity/change/20260821T1554374006150000/12903 | synonyms | ef:agent/bootstrap_labels | ef:flow/598f5ff4-592f-4bf3-a642-ed1cb71f15f8/v2 | ef:flow/598f5ff4-592f-4bf3-a642-ed1cb71f15f8/v3 |
| ef:activity/change/20260821T1554374006150000/103024 | context | ef:agent/default_context_mapping | ef:flow/598f5ff4-592f-4bf3-a642-ed1cb71f15f8/v3 | ef:flow/598f5ff4-592f-4bf3-a642-ed1cb71f15f8/v4 |
| ef:activity/change/20260821T1554374006150000/103025 | context_iri | ef:agent/default_context_mapping | ef:flow/598f5ff4-592f-4bf3-a642-ed1cb71f15f8/v4 | ef:flow/598f5ff4-592f-4bf3-a642-ed1cb71f15f8/v5 |
| ef:activity/change/20260821T1554374006150000/217605 | unit_iri | ef:agent/unit_normalization | ef:flow/598f5ff4-592f-4bf3-a642-ed1cb71f15f8/v5 | ef:flow/598f5ff4-592f-4bf3-a642-ed1cb71f15f8/v6 |
| ef:activity/change/20260821T1554374006150000/224079 | prefLabel | ef:agent/normalize_name_case | ef:flow/598f5ff4-592f-4bf3-a642-ed1cb71f15f8/v6 | ef:flow/598f5ff4-592f-4bf3-a642-ed1cb71f15f8/v7 |
| ef:activity/change/20260821T1554374006150000/239425 | properties | ef:agent/enrich_references | ef:flow/598f5ff4-592f-4bf3-a642-ed1cb71f15f8/v7 | ef:flow/598f5ff4-592f-4bf3-a642-ed1cb71f15f8/v8 |
| ef:activity/change/20260821T1554374006150000/239426 | skos_definition | ef:agent/enrich_references | ef:flow/598f5ff4-592f-4bf3-a642-ed1cb71f15f8/v8 | ef:flow/598f5ff4-592f-4bf3-a642-ed1cb71f15f8/v9 |
| ef:activity/change/20260821T1554374006150000/239427 | references | ef:agent/enrich_references | ef:flow/598f5ff4-592f-4bf3-a642-ed1cb71f15f8/v9 | ef:flow/598f5ff4-592f-4bf3-a642-ed1cb71f15f8/v10 |
| ef:activity/change/20260821T1554374006150000/251837 | properties | ef:agent/rdkit_pre_consensus | ef:flow/598f5ff4-592f-4bf3-a642-ed1cb71f15f8/v10 | ef:flow/598f5ff4-592f-4bf3-a642-ed1cb71f15f8/v11 |
| ef:activity/change/20260821T1554374006150000/271059 | altLabel | ef:agent/consensus_match | ef:flow/598f5ff4-592f-4bf3-a642-ed1cb71f15f8/v11 | ef:flow/598f5ff4-592f-4bf3-a642-ed1cb71f15f8/v12 |
| ef:activity/change/20260821T1554374006150000/271060 | cas_match_labels | ef:agent/consensus_match | ef:flow/598f5ff4-592f-4bf3-a642-ed1cb71f15f8/v12 | ef:flow/598f5ff4-592f-4bf3-a642-ed1cb71f15f8/v13 |
| ef:activity/change/20260821T1554374006150000/277029 | properties | ef:agent/opsin_iupac | ef:flow/598f5ff4-592f-4bf3-a642-ed1cb71f15f8/v13 | ef:flow/598f5ff4-592f-4bf3-a642-ed1cb71f15f8/v14 |
| ef:activity/change/20260821T1554374006150000/283681 | properties | ef:agent/rdkit_post_consensus | ef:flow/598f5ff4-592f-4bf3-a642-ed1cb71f15f8/v14 | ef:flow/598f5ff4-592f-4bf3-a642-ed1cb71f15f8/v15 |
| ef:activity/change/20260821T1554374006150000/289907 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/598f5ff4-592f-4bf3-a642-ed1cb71f15f8/v15 | ef:flow/598f5ff4-592f-4bf3-a642-ed1cb71f15f8/v16 |
| ef:activity/change/20260821T1554374006150000/332509 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/598f5ff4-592f-4bf3-a642-ed1cb71f15f8/v16 | ef:flow/598f5ff4-592f-4bf3-a642-ed1cb71f15f8/v17 |
| ef:activity/change/20260821T1554374006150000/391381 | properties | ef:agent/normalise_property_values | ef:flow/598f5ff4-592f-4bf3-a642-ed1cb71f15f8/v17 | ef:flow/598f5ff4-592f-4bf3-a642-ed1cb71f15f8/v18 |
| ef:activity/change/20260821T1554374006150000/399387 | types | ef:agent/link_flows_to_their_substance | ef:flow/598f5ff4-592f-4bf3-a642-ed1cb71f15f8/v18 | ef:flow/598f5ff4-592f-4bf3-a642-ed1cb71f15f8/v19 |