Hexanoic Anhydride
Everything that changed this flow. Back to the flow
9eecd4a4-f2cf-4b30-b65c-06c8e931575d
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, 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=hexanoicanhydride||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'2051-49-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5a0f6b1bc4c82d4f: {'2051-49-2': '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=['2051-49-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[74918, 220685]; selected_pubchem_cids=[74918]; 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 |
|---|---|---|---|---|---|
| 1,197 | bootstrap_labels | prefLabel | — | [{"@value":"hexanoic anhydride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributed… | Bootstrapped prefLabel from legacy name field |
| 1,198 | bootstrap_labels | name | hexanoic anhydride | — | Purged legacy name field to enforce prefLabel usage |
| 1,199 | bootstrap_labels | synonyms | ["organic","hexanoicanhydride","capronicanhydride"] | [] | Removed legacy synonyms field in favor of structured labels |
| 144,274 | 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 |
| 144,275 | 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 |
| 213,734 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,366 | normalize_name_case | prefLabel | [{"@value":"hexanoic anhydride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributed… | [{"@value":"Hexanoic Anhydride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributed… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 228,323 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H22O3"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 228,324 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 228,325 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J95.911A","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['2051-49-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[74918, 220685]; selected_pubchem_cids=[74918]; 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 |
| 248,644 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H22O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H22O3"]… | rdkit_pre_consensus from 'CCCCCC(=O)OC(=O)CCCCC'; added: molecular_mass, monoisotopic_mass |
| 267,702 | consensus_match | altLabel | [] | [{"@value":"<em>n</em>-Hexanoic acid anhydride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pro… | group_key=hexanoicanhydride||dimension=Environmental > media=Air > strata=Unknown; cas=2051-49-2; added Common Chemistry CAS names as altLabel: <em>n</em>-Hexanoic acid anhydride, <em>n</em>-Hexanoic anhydride, Caproic acid anhydride, Caproic anhydride, Capronic acid anhydride, Capronic anhydride, Hexanoic acid, 1,1′-anhydride, Hexanoic acid, anhydride, Hexanoyl anhydride; object_uuid=fo-5a0f6b1bc4c82d4f |
| 267,703 | consensus_match | cas_match_labels | — | {"2051-49-2":"exactMatch"} | group_key=hexanoicanhydride||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'2051-49-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5a0f6b1bc4c82d4f: {'2051-49-2': 'exactMatch'} |
| 273,768 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H22O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H22O3"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Hexanoic Anhydride' |
| 280,149 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H22O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H22O3"]… | rdkit_post_consensus from 'CCCCCC(=O)OC(=O)CCCCC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,014 | dedupe_altlabels | altLabel | [{"@value":"<em>n</em>-Hexanoic acid anhydride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pro… | [{"@value":"n-Hexanoic acid anhydride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttr… | Deduplicated altLabel values and removed entries matching prefLabel |
| 353,139 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/9eecd4a4-f2cf-… | associations resolved on the elementary layer |
| 388,048 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H22O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H22O3"]… | typed the way the ontology types it |
| 394,640 | 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/20260822T0600486828500000/1197 | prefLabel | ef:agent/bootstrap_labels | ef:flow/9eecd4a4-f2cf-4b30-b65c-06c8e931575d/v0 | ef:flow/9eecd4a4-f2cf-4b30-b65c-06c8e931575d/v1 |
| ef:activity/change/20260822T0600486828500000/1198 | name | ef:agent/bootstrap_labels | ef:flow/9eecd4a4-f2cf-4b30-b65c-06c8e931575d/v1 | ef:flow/9eecd4a4-f2cf-4b30-b65c-06c8e931575d/v2 |
| ef:activity/change/20260822T0600486828500000/1199 | synonyms | ef:agent/bootstrap_labels | ef:flow/9eecd4a4-f2cf-4b30-b65c-06c8e931575d/v2 | ef:flow/9eecd4a4-f2cf-4b30-b65c-06c8e931575d/v3 |
| ef:activity/change/20260822T0600486828500000/144274 | context | ef:agent/default_context_mapping | ef:flow/9eecd4a4-f2cf-4b30-b65c-06c8e931575d/v3 | ef:flow/9eecd4a4-f2cf-4b30-b65c-06c8e931575d/v4 |
| ef:activity/change/20260822T0600486828500000/144275 | context_iri | ef:agent/default_context_mapping | ef:flow/9eecd4a4-f2cf-4b30-b65c-06c8e931575d/v4 | ef:flow/9eecd4a4-f2cf-4b30-b65c-06c8e931575d/v5 |
| ef:activity/change/20260822T0600486828500000/213734 | unit_iri | ef:agent/unit_normalization | ef:flow/9eecd4a4-f2cf-4b30-b65c-06c8e931575d/v5 | ef:flow/9eecd4a4-f2cf-4b30-b65c-06c8e931575d/v6 |
| ef:activity/change/20260822T0600486828500000/221366 | prefLabel | ef:agent/normalize_name_case | ef:flow/9eecd4a4-f2cf-4b30-b65c-06c8e931575d/v6 | ef:flow/9eecd4a4-f2cf-4b30-b65c-06c8e931575d/v7 |
| ef:activity/change/20260822T0600486828500000/228323 | properties | ef:agent/enrich_references | ef:flow/9eecd4a4-f2cf-4b30-b65c-06c8e931575d/v7 | ef:flow/9eecd4a4-f2cf-4b30-b65c-06c8e931575d/v8 |
| ef:activity/change/20260822T0600486828500000/228324 | skos_definition | ef:agent/enrich_references | ef:flow/9eecd4a4-f2cf-4b30-b65c-06c8e931575d/v8 | ef:flow/9eecd4a4-f2cf-4b30-b65c-06c8e931575d/v9 |
| ef:activity/change/20260822T0600486828500000/228325 | references | ef:agent/enrich_references | ef:flow/9eecd4a4-f2cf-4b30-b65c-06c8e931575d/v9 | ef:flow/9eecd4a4-f2cf-4b30-b65c-06c8e931575d/v10 |
| ef:activity/change/20260822T0600486828500000/248644 | properties | ef:agent/rdkit_pre_consensus | ef:flow/9eecd4a4-f2cf-4b30-b65c-06c8e931575d/v10 | ef:flow/9eecd4a4-f2cf-4b30-b65c-06c8e931575d/v11 |
| ef:activity/change/20260822T0600486828500000/267702 | altLabel | ef:agent/consensus_match | ef:flow/9eecd4a4-f2cf-4b30-b65c-06c8e931575d/v11 | ef:flow/9eecd4a4-f2cf-4b30-b65c-06c8e931575d/v12 |
| ef:activity/change/20260822T0600486828500000/267703 | cas_match_labels | ef:agent/consensus_match | ef:flow/9eecd4a4-f2cf-4b30-b65c-06c8e931575d/v12 | ef:flow/9eecd4a4-f2cf-4b30-b65c-06c8e931575d/v13 |
| ef:activity/change/20260822T0600486828500000/273768 | properties | ef:agent/opsin_iupac | ef:flow/9eecd4a4-f2cf-4b30-b65c-06c8e931575d/v13 | ef:flow/9eecd4a4-f2cf-4b30-b65c-06c8e931575d/v14 |
| ef:activity/change/20260822T0600486828500000/280149 | properties | ef:agent/rdkit_post_consensus | ef:flow/9eecd4a4-f2cf-4b30-b65c-06c8e931575d/v14 | ef:flow/9eecd4a4-f2cf-4b30-b65c-06c8e931575d/v15 |
| ef:activity/change/20260822T0600486828500000/292014 | altLabel | ef:agent/dedupe_altlabels | ef:flow/9eecd4a4-f2cf-4b30-b65c-06c8e931575d/v15 | ef:flow/9eecd4a4-f2cf-4b30-b65c-06c8e931575d/v16 |
| ef:activity/change/20260822T0600486828500000/353139 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/9eecd4a4-f2cf-4b30-b65c-06c8e931575d/v16 | ef:flow/9eecd4a4-f2cf-4b30-b65c-06c8e931575d/v17 |
| ef:activity/change/20260822T0600486828500000/388048 | properties | ef:agent/normalise_property_values | ef:flow/9eecd4a4-f2cf-4b30-b65c-06c8e931575d/v17 | ef:flow/9eecd4a4-f2cf-4b30-b65c-06c8e931575d/v18 |
| ef:activity/change/20260822T0600486828500000/394640 | types | ef:agent/link_flows_to_their_substance | ef:flow/9eecd4a4-f2cf-4b30-b65c-06c8e931575d/v18 | ef:flow/9eecd4a4-f2cf-4b30-b65c-06c8e931575d/v19 |