(3r)-3-hydroxy-4,4-dimethyloxolan-2-one
Everything that changed this flow. Back to the flow
8d63733a-b941-44ef-a927-96ab099a8d32
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 6 | enrich_references, link_flows_to_their_substance, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | the substance's answer, copied onto its flow |
| altLabel | 3 | chebi_altlabels, consensus_match, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| cas_match_labels | 1 | consensus_match | group_key=(3r)-3-hydroxy-4,4-dimethyloxolan-2-one||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'599-04-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5216b2a75086ac57: {'599-04-2': '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 soil > Emissions to soil, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 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=['599-04-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_16719']; candidate_pubchem_cids=[989, 439368, 736053, 21910385, 22244486]; selected_pubchem_cids=[439368]; 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
20| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 14,833 | bootstrap_labels | prefLabel | — | [{"@value":"(3r)-3-hydroxy-4,4-dimethyloxolan-2-one","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels… | Bootstrapped prefLabel from legacy name field |
| 14,834 | bootstrap_labels | name | (3r)-3-hydroxy-4,4-dimethyloxolan-2-one | — | Purged legacy name field to enforce prefLabel usage |
| 14,835 | bootstrap_labels | synonyms | ["organic","î±-hydroxy-î²,î²-dimethyl-î³-butyrolactone","(-)-(r)-pantolactone","(-)-pantolactone","(-)-pantoyllactone",… | [] | Removed legacy synonyms field in favor of structured labels |
| 133,940 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 133,941 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 218,234 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 241,217 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10O3"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 241,218 | enrich_references | skos_definition | — | [{"@value":"A butan-4-olide that is dihydrofuran-2(3H)-one substituted by a hydroxy group at position 3 and two methyl… | Merged ChEBI/PubChem definitions into skos:definition |
| 241,219 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J13.798G","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['599-04-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_16719']; candidate_pubchem_cids=[989, 439368, 736053, 21910385, 22244486]; selected_pubchem_cids=[439368]; 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 |
| 252,365 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10O3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10O3"],… | rdkit_pre_consensus from 'CC1(C)COC(=O)[C@@H]1O'; added: monoisotopic_mass |
| 256,366 | chebi_altlabels | altLabel | [] | [{"@value":"(3R)-3-hydroxy-4,4-dimethyldihydrofuran-2(3H)-one","@language":"en","source":{"prov:wasGeneratedBy":"chebi_… | Added 7 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 257,735 | consensus_match | altLabel | [{"@value":"(3R)-3-hydroxy-4,4-dimethyldihydrofuran-2(3H)-one","@language":"en","source":{"prov:wasGeneratedBy":"chebi_… | [{"@value":"(3R)-3-hydroxy-4,4-dimethyldihydrofuran-2(3H)-one","@language":"en","source":{"prov:wasGeneratedBy":"chebi_… | group_key=(3r)-3-hydroxy-4,4-dimethyloxolan-2-one||dimension=Environmental > media=Water > water_body=Long-term; cas=599-04-2; added Common Chemistry CAS names as altLabel: (-)-(<em>R</em>)-Pantolactone, (-)-2-Hydroxy-3,3-dimethyl-γ-butyrolactone, (-)-Pantolactone, (-)-Pantoyl lactone, (3<em>R</em>)-Tetrahydro-3-hydroxy-4,4-dimethylfuran-2-one, (<em>R</em>)-(-)-Pantolactone, (<em>R</em>)-3-Hydroxy-4,4-dimethyldihydrofuran-2(3<em>H</em>)-one, (<em>R</em>)-α-Hydroxy-β,β-dimethyl-γ-butyrolactone, 2(3<em>H</em>)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-, (3<em>R</em>)-, 2(3<em>H</em>)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-, (<em>R</em>)-, 2(3<em>H</em>)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-, <span class="text-smallcaps">D</span>-(-)-, <span class="text-smallcaps">D</span>-(-)-Pantolactone, <span class="text-smallcaps">D</span>-(-)-Pantoyl lactone, <span class="text-smallcaps">D</span>-(-)-α-Hydroxy-β,β-dimethyl-γ-butyrolactone, <span class="text-smallcaps">D</span>-Pantolactone, <span class="text-smallcaps">D</span>-Pantoyl lactone, Pantolactone, Pantothenic lactone, Pantoyl lactone, l-Pantoyl lactone; object_uuid=fo-5216b2a75086ac57 |
| 257,736 | consensus_match | cas_match_labels | — | {"599-04-2":"exactMatch"} | group_key=(3r)-3-hydroxy-4,4-dimethyloxolan-2-one||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'599-04-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5216b2a75086ac57: {'599-04-2': 'exactMatch'} |
| 277,573 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10O3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10O3"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '(3r)-3-hydroxy-4,4-dimethyloxolan-2-one' |
| 284,268 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10O3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10O3"],… | rdkit_post_consensus from 'CC1(C)COC(=O)[C@@H]1O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,806 | dedupe_altlabels | altLabel | [{"@value":"(3R)-3-hydroxy-4,4-dimethyldihydrofuran-2(3H)-one","@language":"en","source":{"prov:wasGeneratedBy":"chebi_… | [{"@value":"(3R)-3-hydroxy-4,4-dimethyldihydrofuran-2(3H)-one","@language":"en","source":{"prov:wasGeneratedBy":"chebi_… | Deduplicated altLabel values and removed entries matching prefLabel |
| 347,986 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/8d63733a-b941-… | associations resolved on the elementary layer |
| 391,932 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10O3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10O3"],… | typed the way the ontology types it |
| 400,170 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 400,171 | link_flows_to_their_substance | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10O3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10O3"],… | the substance's answer, copied onto its flow |
PROV-O trail
20 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/20260820T0738569779880000/14833 | prefLabel | ef:agent/bootstrap_labels | ef:flow/8d63733a-b941-44ef-a927-96ab099a8d32/v0 | ef:flow/8d63733a-b941-44ef-a927-96ab099a8d32/v1 |
| ef:activity/change/20260820T0738569779880000/14834 | name | ef:agent/bootstrap_labels | ef:flow/8d63733a-b941-44ef-a927-96ab099a8d32/v1 | ef:flow/8d63733a-b941-44ef-a927-96ab099a8d32/v2 |
| ef:activity/change/20260820T0738569779880000/14835 | synonyms | ef:agent/bootstrap_labels | ef:flow/8d63733a-b941-44ef-a927-96ab099a8d32/v2 | ef:flow/8d63733a-b941-44ef-a927-96ab099a8d32/v3 |
| ef:activity/change/20260820T0738569779880000/133940 | context | ef:agent/default_context_mapping | ef:flow/8d63733a-b941-44ef-a927-96ab099a8d32/v3 | ef:flow/8d63733a-b941-44ef-a927-96ab099a8d32/v4 |
| ef:activity/change/20260820T0738569779880000/133941 | context_iri | ef:agent/default_context_mapping | ef:flow/8d63733a-b941-44ef-a927-96ab099a8d32/v4 | ef:flow/8d63733a-b941-44ef-a927-96ab099a8d32/v5 |
| ef:activity/change/20260820T0738569779880000/218234 | unit_iri | ef:agent/unit_normalization | ef:flow/8d63733a-b941-44ef-a927-96ab099a8d32/v5 | ef:flow/8d63733a-b941-44ef-a927-96ab099a8d32/v6 |
| ef:activity/change/20260820T0738569779880000/241217 | properties | ef:agent/enrich_references | ef:flow/8d63733a-b941-44ef-a927-96ab099a8d32/v6 | ef:flow/8d63733a-b941-44ef-a927-96ab099a8d32/v7 |
| ef:activity/change/20260820T0738569779880000/241218 | skos_definition | ef:agent/enrich_references | ef:flow/8d63733a-b941-44ef-a927-96ab099a8d32/v7 | ef:flow/8d63733a-b941-44ef-a927-96ab099a8d32/v8 |
| ef:activity/change/20260820T0738569779880000/241219 | references | ef:agent/enrich_references | ef:flow/8d63733a-b941-44ef-a927-96ab099a8d32/v8 | ef:flow/8d63733a-b941-44ef-a927-96ab099a8d32/v9 |
| ef:activity/change/20260820T0738569779880000/252365 | properties | ef:agent/rdkit_pre_consensus | ef:flow/8d63733a-b941-44ef-a927-96ab099a8d32/v9 | ef:flow/8d63733a-b941-44ef-a927-96ab099a8d32/v10 |
| ef:activity/change/20260820T0738569779880000/256366 | altLabel | ef:agent/chebi_altlabels | ef:flow/8d63733a-b941-44ef-a927-96ab099a8d32/v10 | ef:flow/8d63733a-b941-44ef-a927-96ab099a8d32/v11 |
| ef:activity/change/20260820T0738569779880000/257735 | altLabel | ef:agent/consensus_match | ef:flow/8d63733a-b941-44ef-a927-96ab099a8d32/v11 | ef:flow/8d63733a-b941-44ef-a927-96ab099a8d32/v12 |
| ef:activity/change/20260820T0738569779880000/257736 | cas_match_labels | ef:agent/consensus_match | ef:flow/8d63733a-b941-44ef-a927-96ab099a8d32/v12 | ef:flow/8d63733a-b941-44ef-a927-96ab099a8d32/v13 |
| ef:activity/change/20260820T0738569779880000/277573 | properties | ef:agent/opsin_iupac | ef:flow/8d63733a-b941-44ef-a927-96ab099a8d32/v13 | ef:flow/8d63733a-b941-44ef-a927-96ab099a8d32/v14 |
| ef:activity/change/20260820T0738569779880000/284268 | properties | ef:agent/rdkit_post_consensus | ef:flow/8d63733a-b941-44ef-a927-96ab099a8d32/v14 | ef:flow/8d63733a-b941-44ef-a927-96ab099a8d32/v15 |
| ef:activity/change/20260820T0738569779880000/292806 | altLabel | ef:agent/dedupe_altlabels | ef:flow/8d63733a-b941-44ef-a927-96ab099a8d32/v15 | ef:flow/8d63733a-b941-44ef-a927-96ab099a8d32/v16 |
| ef:activity/change/20260820T0738569779880000/347986 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/8d63733a-b941-44ef-a927-96ab099a8d32/v16 | ef:flow/8d63733a-b941-44ef-a927-96ab099a8d32/v17 |
| ef:activity/change/20260820T0738569779880000/391932 | properties | ef:agent/normalise_property_values | ef:flow/8d63733a-b941-44ef-a927-96ab099a8d32/v17 | ef:flow/8d63733a-b941-44ef-a927-96ab099a8d32/v18 |
| ef:activity/change/20260820T0738569779880000/400170 | types | ef:agent/link_flows_to_their_substance | ef:flow/8d63733a-b941-44ef-a927-96ab099a8d32/v18 | ef:flow/8d63733a-b941-44ef-a927-96ab099a8d32/v19 |
| ef:activity/change/20260820T0738569779880000/400171 | properties | ef:agent/link_flows_to_their_substance | ef:flow/8d63733a-b941-44ef-a927-96ab099a8d32/v19 | ef:flow/8d63733a-b941-44ef-a927-96ab099a8d32/v20 |