2-chlormethyl-8-(1,1-dimethylethyl)-1,4-dioxaspiro[4.5]decan
Everything that changed this flow. Back to the flow
49f1516e-f434-440b-8b18-b1fcd9a6308c
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 | 1 | consensus_match | group_key=2-chlormethyl-8-(1,1-dimethylethyl)-1,4-dioxaspiro[4.5]decan||dimension=Environmental > media=Ground > geography=Non-agricultural; cas=118135-28-7; added Common Chemistry CAS names as altLabel: 1,4-Dioxaspiro[4.5]decane, 2-(chloromethyl)-8-(1,1-dimethylethyl)-, 2-(Chloromethyl)-8-(1,1-dimethylethyl)-1,4-dioxaspiro[4.5]decane; object_uuid=fo-ff921d2909f81c6d |
| cas_match_labels | 1 | consensus_match | group_key=2-chlormethyl-8-(1,1-dimethylethyl)-1,4-dioxaspiro[4.5]decan||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['pubchem']; cas_sources={'118135-28-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ff921d2909f81c6d: {'118135-28-7': '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, indoor |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['118135-28-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[14326294]; selected_pubchem_cids=[14326294]; 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 |
|---|---|---|---|---|---|
| 1,820 | bootstrap_labels | prefLabel | — | [{"@value":"2-chlormethyl-8-(1,1-dimethylethyl)-1,4-dioxaspiro[4.5]decan","@language":"en","source":{"prov:wasGenerated… | Bootstrapped prefLabel from legacy name field |
| 1,821 | bootstrap_labels | name | 2-chlormethyl-8-(1,1-dimethylethyl)-1,4-dioxaspiro[4.5]decan | — | Purged legacy name field to enforce prefLabel usage |
| 1,822 | bootstrap_labels | synonyms | ["organic","1,4-dioxaspiro[4.5]decane,2-(chloromethyl)-8-(1,1-dimethylethyl)-"] | [] | Removed legacy synonyms field in favor of structured labels |
| 85,186 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 85,187 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 213,945 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 228,930 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H23ClO2… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 228,931 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 228,932 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.120.419","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['118135-28-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[14326294]; selected_pubchem_cids=[14326294]; 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 |
| 248,820 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H23ClO2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H23ClO2… | rdkit_pre_consensus from 'CC(C)(C)C1CCC2(CC1)OCC(O2)CCl'; added: molecular_mass, monoisotopic_mass |
| 260,616 | consensus_match | altLabel | [] | [{"@value":"1,4-Dioxaspiro[4.5]decane, 2-(chloromethyl)-8-(1,1-dimethylethyl)-","@language":"en","source":{"prov:wasGen… | group_key=2-chlormethyl-8-(1,1-dimethylethyl)-1,4-dioxaspiro[4.5]decan||dimension=Environmental > media=Ground > geography=Non-agricultural; cas=118135-28-7; added Common Chemistry CAS names as altLabel: 1,4-Dioxaspiro[4.5]decane, 2-(chloromethyl)-8-(1,1-dimethylethyl)-, 2-(Chloromethyl)-8-(1,1-dimethylethyl)-1,4-dioxaspiro[4.5]decane; object_uuid=fo-ff921d2909f81c6d |
| 260,617 | consensus_match | cas_match_labels | — | {"118135-28-7":"exactMatch"} | group_key=2-chlormethyl-8-(1,1-dimethylethyl)-1,4-dioxaspiro[4.5]decan||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['pubchem']; cas_sources={'118135-28-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ff921d2909f81c6d: {'118135-28-7': 'exactMatch'} |
| 273,939 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H23ClO2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H23ClO2… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1,4-Dioxaspiro[4.5]decane, 2-(chloromethyl)-8-(1,1-dimethylethyl)-' |
| 280,335 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H23ClO2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H23ClO2… | rdkit_post_consensus from 'CC(C)(C)C1CCC2(CC1)OCC(CCl)O2'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 323,601 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/49f1516e-f434-… | associations resolved on the elementary layer |
| 388,224 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H23ClO2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H23ClO2… | typed the way the ontology types it |
| 394,869 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | 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/20260821T0609040591070000/1820 | prefLabel | ef:agent/bootstrap_labels | ef:flow/49f1516e-f434-440b-8b18-b1fcd9a6308c/v0 | ef:flow/49f1516e-f434-440b-8b18-b1fcd9a6308c/v1 |
| ef:activity/change/20260821T0609040591070000/1821 | name | ef:agent/bootstrap_labels | ef:flow/49f1516e-f434-440b-8b18-b1fcd9a6308c/v1 | ef:flow/49f1516e-f434-440b-8b18-b1fcd9a6308c/v2 |
| ef:activity/change/20260821T0609040591070000/1822 | synonyms | ef:agent/bootstrap_labels | ef:flow/49f1516e-f434-440b-8b18-b1fcd9a6308c/v2 | ef:flow/49f1516e-f434-440b-8b18-b1fcd9a6308c/v3 |
| ef:activity/change/20260821T0609040591070000/85186 | context | ef:agent/default_context_mapping | ef:flow/49f1516e-f434-440b-8b18-b1fcd9a6308c/v3 | ef:flow/49f1516e-f434-440b-8b18-b1fcd9a6308c/v4 |
| ef:activity/change/20260821T0609040591070000/85187 | context_iri | ef:agent/default_context_mapping | ef:flow/49f1516e-f434-440b-8b18-b1fcd9a6308c/v4 | ef:flow/49f1516e-f434-440b-8b18-b1fcd9a6308c/v5 |
| ef:activity/change/20260821T0609040591070000/213945 | unit_iri | ef:agent/unit_normalization | ef:flow/49f1516e-f434-440b-8b18-b1fcd9a6308c/v5 | ef:flow/49f1516e-f434-440b-8b18-b1fcd9a6308c/v6 |
| ef:activity/change/20260821T0609040591070000/228930 | properties | ef:agent/enrich_references | ef:flow/49f1516e-f434-440b-8b18-b1fcd9a6308c/v6 | ef:flow/49f1516e-f434-440b-8b18-b1fcd9a6308c/v7 |
| ef:activity/change/20260821T0609040591070000/228931 | skos_definition | ef:agent/enrich_references | ef:flow/49f1516e-f434-440b-8b18-b1fcd9a6308c/v7 | ef:flow/49f1516e-f434-440b-8b18-b1fcd9a6308c/v8 |
| ef:activity/change/20260821T0609040591070000/228932 | references | ef:agent/enrich_references | ef:flow/49f1516e-f434-440b-8b18-b1fcd9a6308c/v8 | ef:flow/49f1516e-f434-440b-8b18-b1fcd9a6308c/v9 |
| ef:activity/change/20260821T0609040591070000/248820 | properties | ef:agent/rdkit_pre_consensus | ef:flow/49f1516e-f434-440b-8b18-b1fcd9a6308c/v9 | ef:flow/49f1516e-f434-440b-8b18-b1fcd9a6308c/v10 |
| ef:activity/change/20260821T0609040591070000/260616 | altLabel | ef:agent/consensus_match | ef:flow/49f1516e-f434-440b-8b18-b1fcd9a6308c/v10 | ef:flow/49f1516e-f434-440b-8b18-b1fcd9a6308c/v11 |
| ef:activity/change/20260821T0609040591070000/260617 | cas_match_labels | ef:agent/consensus_match | ef:flow/49f1516e-f434-440b-8b18-b1fcd9a6308c/v11 | ef:flow/49f1516e-f434-440b-8b18-b1fcd9a6308c/v12 |
| ef:activity/change/20260821T0609040591070000/273939 | properties | ef:agent/opsin_iupac | ef:flow/49f1516e-f434-440b-8b18-b1fcd9a6308c/v12 | ef:flow/49f1516e-f434-440b-8b18-b1fcd9a6308c/v13 |
| ef:activity/change/20260821T0609040591070000/280335 | properties | ef:agent/rdkit_post_consensus | ef:flow/49f1516e-f434-440b-8b18-b1fcd9a6308c/v13 | ef:flow/49f1516e-f434-440b-8b18-b1fcd9a6308c/v14 |
| ef:activity/change/20260821T0609040591070000/323601 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/49f1516e-f434-440b-8b18-b1fcd9a6308c/v14 | ef:flow/49f1516e-f434-440b-8b18-b1fcd9a6308c/v15 |
| ef:activity/change/20260821T0609040591070000/388224 | properties | ef:agent/normalise_property_values | ef:flow/49f1516e-f434-440b-8b18-b1fcd9a6308c/v15 | ef:flow/49f1516e-f434-440b-8b18-b1fcd9a6308c/v16 |
| ef:activity/change/20260821T0609040591070000/394869 | types | ef:agent/link_flows_to_their_substance | ef:flow/49f1516e-f434-440b-8b18-b1fcd9a6308c/v16 | ef:flow/49f1516e-f434-440b-8b18-b1fcd9a6308c/v17 |