7-methoxy-4,4-dimethyl-1,3-isochromandione
Everything that changed this flow. Back to the flow
f7504257-d30a-4298-80a6-7dea8bd597c1
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 |
| cas_match_labels | 1 | consensus_match | group_key=7-methoxy-4,4-dimethyl-1,3-isochromandione||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['pubchem']; cas_sources={'55974-25-9': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2f762cb7757abfb2: {'55974-25-9': '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 |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['55974-25-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[11499529]; selected_pubchem_cids=[11499529]; 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 |
|---|---|---|---|---|---|
| 117 | bootstrap_labels | prefLabel | — | [{"@value":"7-methoxy-4,4-dimethyl-1,3-isochromandione","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_lab… | Bootstrapped prefLabel from legacy name field |
| 118 | bootstrap_labels | name | 7-methoxy-4,4-dimethyl-1,3-isochromandione | — | Purged legacy name field to enforce prefLabel usage |
| 119 | bootstrap_labels | synonyms | ["organic","1h-2-benzopyran-1,3(4h)-dione,7-methoxy-4,4-dimethyl-"] | [] | Removed legacy synonyms field in favor of structured labels |
| 198,370 | 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 |
| 198,371 | 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 |
| 213,377 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 227,280 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H12O4"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 227,281 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 227,282 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.112.312","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['55974-25-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[11499529]; selected_pubchem_cids=[11499529]; 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 |
| 248,343 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H12O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H12O4"]… | rdkit_pre_consensus from 'CC1(C2=C(C=C(C=C2)OC)C(=O)OC1=O)C'; added: molecular_mass, monoisotopic_mass |
| 263,339 | consensus_match | altLabel | [] | [{"@value":"1<em>H</em>-2-Benzopyran-1,3(4<em>H</em>)-dione, 7-methoxy-4,4-dimethyl-","@language":"en","source":{"prov:… | group_key=7-methoxy-4,4-dimethyl-1,3-isochromandione||dimension=Environmental > media=Water > water_body=Surface water; cas=55974-25-9; added Common Chemistry CAS names as altLabel: 1<em>H</em>-2-Benzopyran-1,3(4<em>H</em>)-dione, 7-methoxy-4,4-dimethyl-, 7-Methoxy-4,4-dimethyl-1<em>H</em>-2-benzopyran-1,3(4<em>H</em>)-dione; object_uuid=fo-2f762cb7757abfb2 |
| 263,340 | consensus_match | cas_match_labels | — | {"55974-25-9":"exactMatch"} | group_key=7-methoxy-4,4-dimethyl-1,3-isochromandione||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['pubchem']; cas_sources={'55974-25-9': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2f762cb7757abfb2: {'55974-25-9': 'exactMatch'} |
| 273,486 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H12O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H12O4"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '7-methoxy-4,4-dimethyl-1,3-isochromandione' |
| 279,837 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H12O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H12O4"]… | rdkit_post_consensus from 'COc1ccc2c(c1)C(=O)OC(=O)C2(C)C'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,969 | dedupe_altlabels | altLabel | [{"@value":"1<em>H</em>-2-Benzopyran-1,3(4<em>H</em>)-dione, 7-methoxy-4,4-dimethyl-","@language":"en","source":{"prov:… | [{"@value":"1H-2-Benzopyran-1,3(4H)-dione, 7-methoxy-4,4-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"c… | Deduplicated altLabel values and removed entries matching prefLabel |
| 380,239 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/f7504257-d30a-… | associations resolved on the elementary layer |
| 387,766 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H12O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H12O4"]… | typed the way the ontology types it |
| 394,231 | 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/20260820T0738569779880000/117 | prefLabel | ef:agent/bootstrap_labels | ef:flow/f7504257-d30a-4298-80a6-7dea8bd597c1/v0 | ef:flow/f7504257-d30a-4298-80a6-7dea8bd597c1/v1 |
| ef:activity/change/20260820T0738569779880000/118 | name | ef:agent/bootstrap_labels | ef:flow/f7504257-d30a-4298-80a6-7dea8bd597c1/v1 | ef:flow/f7504257-d30a-4298-80a6-7dea8bd597c1/v2 |
| ef:activity/change/20260820T0738569779880000/119 | synonyms | ef:agent/bootstrap_labels | ef:flow/f7504257-d30a-4298-80a6-7dea8bd597c1/v2 | ef:flow/f7504257-d30a-4298-80a6-7dea8bd597c1/v3 |
| ef:activity/change/20260820T0738569779880000/198370 | context | ef:agent/default_context_mapping | ef:flow/f7504257-d30a-4298-80a6-7dea8bd597c1/v3 | ef:flow/f7504257-d30a-4298-80a6-7dea8bd597c1/v4 |
| ef:activity/change/20260820T0738569779880000/198371 | context_iri | ef:agent/default_context_mapping | ef:flow/f7504257-d30a-4298-80a6-7dea8bd597c1/v4 | ef:flow/f7504257-d30a-4298-80a6-7dea8bd597c1/v5 |
| ef:activity/change/20260820T0738569779880000/213377 | unit_iri | ef:agent/unit_normalization | ef:flow/f7504257-d30a-4298-80a6-7dea8bd597c1/v5 | ef:flow/f7504257-d30a-4298-80a6-7dea8bd597c1/v6 |
| ef:activity/change/20260820T0738569779880000/227280 | properties | ef:agent/enrich_references | ef:flow/f7504257-d30a-4298-80a6-7dea8bd597c1/v6 | ef:flow/f7504257-d30a-4298-80a6-7dea8bd597c1/v7 |
| ef:activity/change/20260820T0738569779880000/227281 | skos_definition | ef:agent/enrich_references | ef:flow/f7504257-d30a-4298-80a6-7dea8bd597c1/v7 | ef:flow/f7504257-d30a-4298-80a6-7dea8bd597c1/v8 |
| ef:activity/change/20260820T0738569779880000/227282 | references | ef:agent/enrich_references | ef:flow/f7504257-d30a-4298-80a6-7dea8bd597c1/v8 | ef:flow/f7504257-d30a-4298-80a6-7dea8bd597c1/v9 |
| ef:activity/change/20260820T0738569779880000/248343 | properties | ef:agent/rdkit_pre_consensus | ef:flow/f7504257-d30a-4298-80a6-7dea8bd597c1/v9 | ef:flow/f7504257-d30a-4298-80a6-7dea8bd597c1/v10 |
| ef:activity/change/20260820T0738569779880000/263339 | altLabel | ef:agent/consensus_match | ef:flow/f7504257-d30a-4298-80a6-7dea8bd597c1/v10 | ef:flow/f7504257-d30a-4298-80a6-7dea8bd597c1/v11 |
| ef:activity/change/20260820T0738569779880000/263340 | cas_match_labels | ef:agent/consensus_match | ef:flow/f7504257-d30a-4298-80a6-7dea8bd597c1/v11 | ef:flow/f7504257-d30a-4298-80a6-7dea8bd597c1/v12 |
| ef:activity/change/20260820T0738569779880000/273486 | properties | ef:agent/opsin_iupac | ef:flow/f7504257-d30a-4298-80a6-7dea8bd597c1/v12 | ef:flow/f7504257-d30a-4298-80a6-7dea8bd597c1/v13 |
| ef:activity/change/20260820T0738569779880000/279837 | properties | ef:agent/rdkit_post_consensus | ef:flow/f7504257-d30a-4298-80a6-7dea8bd597c1/v13 | ef:flow/f7504257-d30a-4298-80a6-7dea8bd597c1/v14 |
| ef:activity/change/20260820T0738569779880000/291969 | altLabel | ef:agent/dedupe_altlabels | ef:flow/f7504257-d30a-4298-80a6-7dea8bd597c1/v14 | ef:flow/f7504257-d30a-4298-80a6-7dea8bd597c1/v15 |
| ef:activity/change/20260820T0738569779880000/380239 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/f7504257-d30a-4298-80a6-7dea8bd597c1/v15 | ef:flow/f7504257-d30a-4298-80a6-7dea8bd597c1/v16 |
| ef:activity/change/20260820T0738569779880000/387766 | properties | ef:agent/normalise_property_values | ef:flow/f7504257-d30a-4298-80a6-7dea8bd597c1/v16 | ef:flow/f7504257-d30a-4298-80a6-7dea8bd597c1/v17 |
| ef:activity/change/20260820T0738569779880000/394231 | types | ef:agent/link_flows_to_their_substance | ef:flow/f7504257-d30a-4298-80a6-7dea8bd597c1/v17 | ef:flow/f7504257-d30a-4298-80a6-7dea8bd597c1/v18 |