2,2,4,4-tetramethylcyclobutane-1,3-diol
Everything that changed this flow. Back to the flow
71e7960f-4c10-48f8-988b-bd9a8093ebfb
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, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 46473' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=2,2,4,4-tetramethylcyclobutane-1,3-diol||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'3010-96-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e3dc7c637f919d1b: {'3010-96-6': '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 non-agricultural soil |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 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=['3010-96-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[76382]; selected_pubchem_cids=[76382]; 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 |
|---|---|---|---|---|---|
| 5,719 | bootstrap_labels | prefLabel | — | [{"@value":"2,2,4,4-tetramethylcyclobutane-1,3-diol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels… | Bootstrapped prefLabel from legacy name field |
| 5,720 | bootstrap_labels | name | 2,2,4,4-tetramethylcyclobutane-1,3-diol | — | Purged legacy name field to enforce prefLabel usage |
| 5,721 | bootstrap_labels | synonyms | ["2,2,4,4-tetramethylcyclobutane-1,3-diol,mixedisomers","2,2,4,4-tetramethyl-1,3-cyclobutanediol","2,2,4,4-tetramethylc… | [] | Removed legacy synonyms field in favor of structured labels |
| 117,570 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Non-agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 117,571 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-noag | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 215,249 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 232,684 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 232,685 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 232,686 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.038.568G","provenance":{"prov:wasGeneratedBy":"enrich_refer… | Added references with provenance; cas_numbers=['3010-96-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[76382]; selected_pubchem_cids=[76382]; 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 |
| 249,901 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2"],… | rdkit_pre_consensus from 'CC1(C(C(C1O)(C)C)O)C'; added: molecular_mass, monoisotopic_mass |
| 259,566 | consensus_match | altLabel | [] | [{"@value":"1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_matc… | group_key=2,2,4,4-tetramethylcyclobutane-1,3-diol||dimension=Environmental > media=Ground > geography=Agricultural; cas=3010-96-6; added Common Chemistry CAS names as altLabel: 1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, 1,3-Dihydroxy-2,2,4,4-tetramethylcyclobutane, 2,2,4,4-Tetramethyl-1,3-cyclobutandiol, 2,2,4,4-Tetramethyl-1,3-cyclobutanediol, 2,4-Dihydroxy-1,1,3,3-tetramethylcyclobutane, NSC 46473, Tetramethyl-1,3-cyclobutanediol; object_uuid=fo-e3dc7c637f919d1b |
| 259,567 | consensus_match | cas_match_labels | — | {"3010-96-6":"exactMatch"} | group_key=2,2,4,4-tetramethylcyclobutane-1,3-diol||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'3010-96-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e3dc7c637f919d1b: {'3010-96-6': 'exactMatch'} |
| 275,035 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2,2,4,4-tetramethylcyclobutane-1,3-diol' |
| 281,521 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2"],… | rdkit_post_consensus from 'CC1(C)C(O)C(C)(C)C1O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,413 | strip_catalogue_altlabels | altLabel | [{"@value":"1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_matc… | [{"@value":"1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_matc… | Removed 1 catalogue altLabel value(s): 'NSC 46473' (registry code) |
| 339,776 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/71e7960f-4c10-… | associations resolved on the elementary layer |
| 389,337 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16O2"],… | typed the way the ontology types it |
| 396,441 | 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/20260821T0609040591070000/5719 | prefLabel | ef:agent/bootstrap_labels | ef:flow/71e7960f-4c10-48f8-988b-bd9a8093ebfb/v0 | ef:flow/71e7960f-4c10-48f8-988b-bd9a8093ebfb/v1 |
| ef:activity/change/20260821T0609040591070000/5720 | name | ef:agent/bootstrap_labels | ef:flow/71e7960f-4c10-48f8-988b-bd9a8093ebfb/v1 | ef:flow/71e7960f-4c10-48f8-988b-bd9a8093ebfb/v2 |
| ef:activity/change/20260821T0609040591070000/5721 | synonyms | ef:agent/bootstrap_labels | ef:flow/71e7960f-4c10-48f8-988b-bd9a8093ebfb/v2 | ef:flow/71e7960f-4c10-48f8-988b-bd9a8093ebfb/v3 |
| ef:activity/change/20260821T0609040591070000/117570 | context | ef:agent/default_context_mapping | ef:flow/71e7960f-4c10-48f8-988b-bd9a8093ebfb/v3 | ef:flow/71e7960f-4c10-48f8-988b-bd9a8093ebfb/v4 |
| ef:activity/change/20260821T0609040591070000/117571 | context_iri | ef:agent/default_context_mapping | ef:flow/71e7960f-4c10-48f8-988b-bd9a8093ebfb/v4 | ef:flow/71e7960f-4c10-48f8-988b-bd9a8093ebfb/v5 |
| ef:activity/change/20260821T0609040591070000/215249 | unit_iri | ef:agent/unit_normalization | ef:flow/71e7960f-4c10-48f8-988b-bd9a8093ebfb/v5 | ef:flow/71e7960f-4c10-48f8-988b-bd9a8093ebfb/v6 |
| ef:activity/change/20260821T0609040591070000/232684 | properties | ef:agent/enrich_references | ef:flow/71e7960f-4c10-48f8-988b-bd9a8093ebfb/v6 | ef:flow/71e7960f-4c10-48f8-988b-bd9a8093ebfb/v7 |
| ef:activity/change/20260821T0609040591070000/232685 | skos_definition | ef:agent/enrich_references | ef:flow/71e7960f-4c10-48f8-988b-bd9a8093ebfb/v7 | ef:flow/71e7960f-4c10-48f8-988b-bd9a8093ebfb/v8 |
| ef:activity/change/20260821T0609040591070000/232686 | references | ef:agent/enrich_references | ef:flow/71e7960f-4c10-48f8-988b-bd9a8093ebfb/v8 | ef:flow/71e7960f-4c10-48f8-988b-bd9a8093ebfb/v9 |
| ef:activity/change/20260821T0609040591070000/249901 | properties | ef:agent/rdkit_pre_consensus | ef:flow/71e7960f-4c10-48f8-988b-bd9a8093ebfb/v9 | ef:flow/71e7960f-4c10-48f8-988b-bd9a8093ebfb/v10 |
| ef:activity/change/20260821T0609040591070000/259566 | altLabel | ef:agent/consensus_match | ef:flow/71e7960f-4c10-48f8-988b-bd9a8093ebfb/v10 | ef:flow/71e7960f-4c10-48f8-988b-bd9a8093ebfb/v11 |
| ef:activity/change/20260821T0609040591070000/259567 | cas_match_labels | ef:agent/consensus_match | ef:flow/71e7960f-4c10-48f8-988b-bd9a8093ebfb/v11 | ef:flow/71e7960f-4c10-48f8-988b-bd9a8093ebfb/v12 |
| ef:activity/change/20260821T0609040591070000/275035 | properties | ef:agent/opsin_iupac | ef:flow/71e7960f-4c10-48f8-988b-bd9a8093ebfb/v12 | ef:flow/71e7960f-4c10-48f8-988b-bd9a8093ebfb/v13 |
| ef:activity/change/20260821T0609040591070000/281521 | properties | ef:agent/rdkit_post_consensus | ef:flow/71e7960f-4c10-48f8-988b-bd9a8093ebfb/v13 | ef:flow/71e7960f-4c10-48f8-988b-bd9a8093ebfb/v14 |
| ef:activity/change/20260821T0609040591070000/288413 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/71e7960f-4c10-48f8-988b-bd9a8093ebfb/v14 | ef:flow/71e7960f-4c10-48f8-988b-bd9a8093ebfb/v15 |
| ef:activity/change/20260821T0609040591070000/339776 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/71e7960f-4c10-48f8-988b-bd9a8093ebfb/v15 | ef:flow/71e7960f-4c10-48f8-988b-bd9a8093ebfb/v16 |
| ef:activity/change/20260821T0609040591070000/389337 | properties | ef:agent/normalise_property_values | ef:flow/71e7960f-4c10-48f8-988b-bd9a8093ebfb/v16 | ef:flow/71e7960f-4c10-48f8-988b-bd9a8093ebfb/v17 |
| ef:activity/change/20260821T0609040591070000/396441 | types | ef:agent/link_flows_to_their_substance | ef:flow/71e7960f-4c10-48f8-988b-bd9a8093ebfb/v17 | ef:flow/71e7960f-4c10-48f8-988b-bd9a8093ebfb/v18 |