5-methyl-tetrahydro-2-benzofuran-1,3-dione
Everything that changed this flow. Back to the flow
d7b063a9-ed42-477c-8133-884d8de4fb96
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus, withhold_ambiguous_mass | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| altLabel | 1 | consensus_match | group_key=5-methyl-tetrahydro-2-benzofuran-1,3-dione||dimension=Environmental > media=Ground > geography=Unknown; cas=34090-76-1; added Common Chemistry CAS names as altLabel: 1,3-Isobenzofurandione, tetrahydro-5-methyl-, 4-Methyltetrahydrophthalic acid anhydride, 5-Methyltetrahydroisobenzofuran-1,3-dione, Cyclohexene-1,2-dicarboxylic anhydride, 4-methyl-, Tetrahydro-5-methyl-1,3-isobenzofurandione; object_uuid=fo-2994dbda3bd8d877 |
| cas_match_labels | 1 | consensus_match | group_key=5-methyl-tetrahydro-2-benzofuran-1,3-dione||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'34090-76-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-2994dbda3bd8d877: {'34090-76-1': '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 water > Emissions to water, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 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=['34090-76-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[74330, 86876, 98496, 118131, 22445707]; selected_pubchem_cids=[118131]; 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 |
|---|---|---|---|---|---|
| 1,504 | bootstrap_labels | prefLabel | — | [{"@value":"5-methyl-tetrahydro-2-benzofuran-1,3-dione","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_lab… | Bootstrapped prefLabel from legacy name field |
| 1,505 | bootstrap_labels | name | 5-methyl-tetrahydro-2-benzofuran-1,3-dione | — | Purged legacy name field to enforce prefLabel usage |
| 1,506 | bootstrap_labels | synonyms | ["organic","tetrahydro-4-methylphthalicanhydride","4-mthpa"] | [] | Removed legacy synonyms field in favor of structured labels |
| 177,528 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 177,529 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 213,837 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 228,622 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H10O3"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 228,623 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 228,624 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J169.040J","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['34090-76-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[74330, 86876, 98496, 118131, 22445707]; selected_pubchem_cids=[118131]; 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 |
| 248,731 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H10O3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H10O3"],… | rdkit_pre_consensus from 'CC1CCC2=C(C1)C(=O)OC2=O'; added: molecular_mass, monoisotopic_mass |
| 263,126 | consensus_match | altLabel | [] | [{"@value":"1,3-Isobenzofurandione, tetrahydro-5-methyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_m… | group_key=5-methyl-tetrahydro-2-benzofuran-1,3-dione||dimension=Environmental > media=Ground > geography=Unknown; cas=34090-76-1; added Common Chemistry CAS names as altLabel: 1,3-Isobenzofurandione, tetrahydro-5-methyl-, 4-Methyltetrahydrophthalic acid anhydride, 5-Methyltetrahydroisobenzofuran-1,3-dione, Cyclohexene-1,2-dicarboxylic anhydride, 4-methyl-, Tetrahydro-5-methyl-1,3-isobenzofurandione; object_uuid=fo-2994dbda3bd8d877 |
| 263,127 | consensus_match | cas_match_labels | — | {"34090-76-1":"exactMatch"} | group_key=5-methyl-tetrahydro-2-benzofuran-1,3-dione||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'34090-76-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-2994dbda3bd8d877: {'34090-76-1': 'exactMatch'} |
| 273,851 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H10O3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H10O3"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '5-methyl-tetrahydro-2-benzofuran-1,3-dione' |
| 280,240 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H10O3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H10O3"],… | rdkit_post_consensus from 'CC1CC=C2C(=O)OC(=O)C2C1'; added: inchi2d_key_string; confirmed: smiles_string, inchi2d_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 286,733 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H10O3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H10O3"],… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 369,780 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/d7b063a9-ed42-… | associations resolved on the elementary layer |
| 394,747 | 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/20260820T1812399309960000/1504 | prefLabel | ef:agent/bootstrap_labels | ef:flow/d7b063a9-ed42-477c-8133-884d8de4fb96/v0 | ef:flow/d7b063a9-ed42-477c-8133-884d8de4fb96/v1 |
| ef:activity/change/20260820T1812399309960000/1505 | name | ef:agent/bootstrap_labels | ef:flow/d7b063a9-ed42-477c-8133-884d8de4fb96/v1 | ef:flow/d7b063a9-ed42-477c-8133-884d8de4fb96/v2 |
| ef:activity/change/20260820T1812399309960000/1506 | synonyms | ef:agent/bootstrap_labels | ef:flow/d7b063a9-ed42-477c-8133-884d8de4fb96/v2 | ef:flow/d7b063a9-ed42-477c-8133-884d8de4fb96/v3 |
| ef:activity/change/20260820T1812399309960000/177528 | context | ef:agent/default_context_mapping | ef:flow/d7b063a9-ed42-477c-8133-884d8de4fb96/v3 | ef:flow/d7b063a9-ed42-477c-8133-884d8de4fb96/v4 |
| ef:activity/change/20260820T1812399309960000/177529 | context_iri | ef:agent/default_context_mapping | ef:flow/d7b063a9-ed42-477c-8133-884d8de4fb96/v4 | ef:flow/d7b063a9-ed42-477c-8133-884d8de4fb96/v5 |
| ef:activity/change/20260820T1812399309960000/213837 | unit_iri | ef:agent/unit_normalization | ef:flow/d7b063a9-ed42-477c-8133-884d8de4fb96/v5 | ef:flow/d7b063a9-ed42-477c-8133-884d8de4fb96/v6 |
| ef:activity/change/20260820T1812399309960000/228622 | properties | ef:agent/enrich_references | ef:flow/d7b063a9-ed42-477c-8133-884d8de4fb96/v6 | ef:flow/d7b063a9-ed42-477c-8133-884d8de4fb96/v7 |
| ef:activity/change/20260820T1812399309960000/228623 | skos_definition | ef:agent/enrich_references | ef:flow/d7b063a9-ed42-477c-8133-884d8de4fb96/v7 | ef:flow/d7b063a9-ed42-477c-8133-884d8de4fb96/v8 |
| ef:activity/change/20260820T1812399309960000/228624 | references | ef:agent/enrich_references | ef:flow/d7b063a9-ed42-477c-8133-884d8de4fb96/v8 | ef:flow/d7b063a9-ed42-477c-8133-884d8de4fb96/v9 |
| ef:activity/change/20260820T1812399309960000/248731 | properties | ef:agent/rdkit_pre_consensus | ef:flow/d7b063a9-ed42-477c-8133-884d8de4fb96/v9 | ef:flow/d7b063a9-ed42-477c-8133-884d8de4fb96/v10 |
| ef:activity/change/20260820T1812399309960000/263126 | altLabel | ef:agent/consensus_match | ef:flow/d7b063a9-ed42-477c-8133-884d8de4fb96/v10 | ef:flow/d7b063a9-ed42-477c-8133-884d8de4fb96/v11 |
| ef:activity/change/20260820T1812399309960000/263127 | cas_match_labels | ef:agent/consensus_match | ef:flow/d7b063a9-ed42-477c-8133-884d8de4fb96/v11 | ef:flow/d7b063a9-ed42-477c-8133-884d8de4fb96/v12 |
| ef:activity/change/20260820T1812399309960000/273851 | properties | ef:agent/opsin_iupac | ef:flow/d7b063a9-ed42-477c-8133-884d8de4fb96/v12 | ef:flow/d7b063a9-ed42-477c-8133-884d8de4fb96/v13 |
| ef:activity/change/20260820T1812399309960000/280240 | properties | ef:agent/rdkit_post_consensus | ef:flow/d7b063a9-ed42-477c-8133-884d8de4fb96/v13 | ef:flow/d7b063a9-ed42-477c-8133-884d8de4fb96/v14 |
| ef:activity/change/20260820T1812399309960000/286733 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/d7b063a9-ed42-477c-8133-884d8de4fb96/v14 | ef:flow/d7b063a9-ed42-477c-8133-884d8de4fb96/v15 |
| ef:activity/change/20260820T1812399309960000/369780 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/d7b063a9-ed42-477c-8133-884d8de4fb96/v15 | ef:flow/d7b063a9-ed42-477c-8133-884d8de4fb96/v16 |
| ef:activity/change/20260820T1812399309960000/394747 | types | ef:agent/link_flows_to_their_substance | ef:flow/d7b063a9-ed42-477c-8133-884d8de4fb96/v16 | ef:flow/d7b063a9-ed42-477c-8133-884d8de4fb96/v17 |