Theophylline
Everything that changed this flow. Back to the flow
69ce4beb-b5ae-4f5f-b6c5-b467f5e4dfe8
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 | 4 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 5 catalogue altLabel value(s): 'Controfilina 200' (trade name), 'NSC 2066' (registry code), 'Teocen 200' (trade name), 'Teotard 350' (trade name), 'Theo 24' (grade code) |
| prefLabel | 2 | bootstrap_labels, consensus_match | cas=58-55-9; cc_chebi_agreed_name='Theophylline'; object_uuid=fo-e5e24817eec144e2 |
| cas_match_labels | 1 | consensus_match | group_key=1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'58-55-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e5e24817eec144e2: {'58-55-9': '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 non-urban air or from high stacks |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['58-55-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_28177']; candidate_pubchem_cids=[2153, 3052767, 44483237, 53411047, 73066030, 75582244]; selected_pubchem_cids=[2153]; 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
21| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 12,532 | bootstrap_labels | prefLabel | — | [{"@value":"1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_l… | Bootstrapped prefLabel from legacy name field |
| 12,533 | bootstrap_labels | name | 1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione | — | Purged legacy name field to enforce prefLabel usage |
| 12,534 | bootstrap_labels | synonyms | ["organic","theophylline"] | [] | Removed legacy synonyms field in favor of structured labels |
| 112,814 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Medium stack, <150 meters","population_density":"Rural (<1000 peop… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 112,815 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-mest15me-ru10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 217,486 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 239,084 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H8N4O2"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 239,085 | enrich_references | skos_definition | — | [{"@value":"A dimethylxanthine having the two methyl groups located at positions 1 and 3. It is structurally similar to… | Merged ChEBI/PubChem definitions into skos:definition |
| 239,086 | enrich_references | references | [] | [{"@id":"drugcentral:2620","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['58-55-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_28177']; candidate_pubchem_cids=[2153, 3052767, 44483237, 53411047, 73066030, 75582244]; selected_pubchem_cids=[2153]; 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 |
| 251,738 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H8N4O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H8N4O2"]… | rdkit_pre_consensus from 'CN1C2=C(C(=O)N(C1=O)C)NC=N2'; added: monoisotopic_mass |
| 256,103 | chebi_altlabels | altLabel | [] | [{"@value":"1,3-Dimethylxanthine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | Added 12 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 258,582 | consensus_match | prefLabel | [{"@value":"1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_l… | [{"@value":"Theophylline","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"co… | cas=58-55-9; cc_chebi_agreed_name='Theophylline'; object_uuid=fo-e5e24817eec144e2 |
| 258,583 | consensus_match | altLabel | [{"@value":"1,3-Dimethylxanthine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | [{"@value":"1,3-Dimethylxanthine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | cas=58-55-9; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-e5e24817eec144e2 |
| 258,584 | consensus_match | altLabel | [{"@value":"1,3-Dimethylxanthine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | [{"@value":"1,3-Dimethylxanthine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | group_key=1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione||dimension=Environmental > media=Water > water_body=Surface water; cas=58-55-9; added Common Chemistry CAS names as altLabel: 1,3-Dimethyl-1<em>H</em>-purine-2,6(3<em>H</em>,7<em>H</em>)-dione, 1,3-Dimethyl-2,3,6,7-tetrahydro-1<em>H</em>-purine-2,6-dione, 1,3-Dimethyl-2,3,6,9-tetrahydro-1<em>H</em>-purine-2,6-dione, 1,3-Dimethyl-3,7-dihydro-purine-2,6-dione, 1<em>H</em>-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-, 1<em>H</em>-Purine-2,6-dione, 3,9-dihydro-1,3-dimethyl-, 3,9-Dihydro-1,3-dimethyl-1<em>H</em>-purine-2,6-dione, Accurbron, Aerobin, Aerolate, Afonilm, Apnecut, Armophylline, Asmax, Austyn, Bilordyl, Brochoretard, Bronkodyl, Cetraphylline, Chronophyllin, Constant T, Controfilina 200, Diffumal, Duraphyl, Duraphyllin, Egifilin, Elan, Elixophylline, Etheophyl, Euphylong, GM 501 SpermMobil, Insanovin, LaBID, Lanophyllin, Lasma, Liquophylline, MeSH ID: D013806, NSC 2066, Nuelin, Optiphyllin, Parkophyllin, Physpan, Pro-Vent, Pseudotheophylline, PulmiDur, Pulmo-Timelets, Quibron T, Quibron T/SR, Respicur, Slo-Bid, Slo-Phyllin, Solosin, Somophyllin CRT, Somophyllin T, Spophyllin retard, Sustaire, Talotren, Telb-DS, Telbans, Telbans Dry Syrup, Teocen 200, Teonova, Teotard, Teotard 350, Tesona, Theo 24, Theo-DS, Theo-Nite, Theo-Sav, Theobid, Theobid Duracap, Theochron, Theoclear, Theodel, Theodrip, Theodur Dry Syrup, Theofol, Theograd, Theon, Theona P, Theopek, Theophyl, Theoplus, Theostat, Theotard, Theovent, Throphylline, Unicontin CR, Unifyl, Unilong, Uniphyllin, Xanthium, phylobid; object_uuid=fo-e5e24817eec144e2 |
| 258,585 | consensus_match | cas_match_labels | — | {"58-55-9":"exactMatch"} | group_key=1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'58-55-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e5e24817eec144e2: {'58-55-9': 'exactMatch'} |
| 276,925 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H8N4O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H8N4O2"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Theophylline' |
| 283,573 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H8N4O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H8N4O2"]… | rdkit_post_consensus from 'Cn1c(=O)c2[nH]cnc2n(C)c1=O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,839 | strip_catalogue_altlabels | altLabel | [{"@value":"1,3-Dimethylxanthine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | [{"@value":"1,3-Dimethylxanthine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | Removed 5 catalogue altLabel value(s): 'Controfilina 200' (trade name), 'NSC 2066' (registry code), 'Teocen 200' (trade name), 'Teotard 350' (trade name), 'Theo 24' (grade code) |
| 337,406 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/69ce4beb-b5ae-… | associations resolved on the elementary layer |
| 391,281 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H8N4O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H8N4O2"]… | typed the way the ontology types it |
| 399,248 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
21 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/20260821T1302361922970000/12532 | prefLabel | ef:agent/bootstrap_labels | ef:flow/69ce4beb-b5ae-4f5f-b6c5-b467f5e4dfe8/v0 | ef:flow/69ce4beb-b5ae-4f5f-b6c5-b467f5e4dfe8/v1 |
| ef:activity/change/20260821T1302361922970000/12533 | name | ef:agent/bootstrap_labels | ef:flow/69ce4beb-b5ae-4f5f-b6c5-b467f5e4dfe8/v1 | ef:flow/69ce4beb-b5ae-4f5f-b6c5-b467f5e4dfe8/v2 |
| ef:activity/change/20260821T1302361922970000/12534 | synonyms | ef:agent/bootstrap_labels | ef:flow/69ce4beb-b5ae-4f5f-b6c5-b467f5e4dfe8/v2 | ef:flow/69ce4beb-b5ae-4f5f-b6c5-b467f5e4dfe8/v3 |
| ef:activity/change/20260821T1302361922970000/112814 | context | ef:agent/default_context_mapping | ef:flow/69ce4beb-b5ae-4f5f-b6c5-b467f5e4dfe8/v3 | ef:flow/69ce4beb-b5ae-4f5f-b6c5-b467f5e4dfe8/v4 |
| ef:activity/change/20260821T1302361922970000/112815 | context_iri | ef:agent/default_context_mapping | ef:flow/69ce4beb-b5ae-4f5f-b6c5-b467f5e4dfe8/v4 | ef:flow/69ce4beb-b5ae-4f5f-b6c5-b467f5e4dfe8/v5 |
| ef:activity/change/20260821T1302361922970000/217486 | unit_iri | ef:agent/unit_normalization | ef:flow/69ce4beb-b5ae-4f5f-b6c5-b467f5e4dfe8/v5 | ef:flow/69ce4beb-b5ae-4f5f-b6c5-b467f5e4dfe8/v6 |
| ef:activity/change/20260821T1302361922970000/239084 | properties | ef:agent/enrich_references | ef:flow/69ce4beb-b5ae-4f5f-b6c5-b467f5e4dfe8/v6 | ef:flow/69ce4beb-b5ae-4f5f-b6c5-b467f5e4dfe8/v7 |
| ef:activity/change/20260821T1302361922970000/239085 | skos_definition | ef:agent/enrich_references | ef:flow/69ce4beb-b5ae-4f5f-b6c5-b467f5e4dfe8/v7 | ef:flow/69ce4beb-b5ae-4f5f-b6c5-b467f5e4dfe8/v8 |
| ef:activity/change/20260821T1302361922970000/239086 | references | ef:agent/enrich_references | ef:flow/69ce4beb-b5ae-4f5f-b6c5-b467f5e4dfe8/v8 | ef:flow/69ce4beb-b5ae-4f5f-b6c5-b467f5e4dfe8/v9 |
| ef:activity/change/20260821T1302361922970000/251738 | properties | ef:agent/rdkit_pre_consensus | ef:flow/69ce4beb-b5ae-4f5f-b6c5-b467f5e4dfe8/v9 | ef:flow/69ce4beb-b5ae-4f5f-b6c5-b467f5e4dfe8/v10 |
| ef:activity/change/20260821T1302361922970000/256103 | altLabel | ef:agent/chebi_altlabels | ef:flow/69ce4beb-b5ae-4f5f-b6c5-b467f5e4dfe8/v10 | ef:flow/69ce4beb-b5ae-4f5f-b6c5-b467f5e4dfe8/v11 |
| ef:activity/change/20260821T1302361922970000/258582 | prefLabel | ef:agent/consensus_match | ef:flow/69ce4beb-b5ae-4f5f-b6c5-b467f5e4dfe8/v11 | ef:flow/69ce4beb-b5ae-4f5f-b6c5-b467f5e4dfe8/v12 |
| ef:activity/change/20260821T1302361922970000/258583 | altLabel | ef:agent/consensus_match | ef:flow/69ce4beb-b5ae-4f5f-b6c5-b467f5e4dfe8/v12 | ef:flow/69ce4beb-b5ae-4f5f-b6c5-b467f5e4dfe8/v13 |
| ef:activity/change/20260821T1302361922970000/258584 | altLabel | ef:agent/consensus_match | ef:flow/69ce4beb-b5ae-4f5f-b6c5-b467f5e4dfe8/v13 | ef:flow/69ce4beb-b5ae-4f5f-b6c5-b467f5e4dfe8/v14 |
| ef:activity/change/20260821T1302361922970000/258585 | cas_match_labels | ef:agent/consensus_match | ef:flow/69ce4beb-b5ae-4f5f-b6c5-b467f5e4dfe8/v14 | ef:flow/69ce4beb-b5ae-4f5f-b6c5-b467f5e4dfe8/v15 |
| ef:activity/change/20260821T1302361922970000/276925 | properties | ef:agent/opsin_iupac | ef:flow/69ce4beb-b5ae-4f5f-b6c5-b467f5e4dfe8/v15 | ef:flow/69ce4beb-b5ae-4f5f-b6c5-b467f5e4dfe8/v16 |
| ef:activity/change/20260821T1302361922970000/283573 | properties | ef:agent/rdkit_post_consensus | ef:flow/69ce4beb-b5ae-4f5f-b6c5-b467f5e4dfe8/v16 | ef:flow/69ce4beb-b5ae-4f5f-b6c5-b467f5e4dfe8/v17 |
| ef:activity/change/20260821T1302361922970000/289839 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/69ce4beb-b5ae-4f5f-b6c5-b467f5e4dfe8/v17 | ef:flow/69ce4beb-b5ae-4f5f-b6c5-b467f5e4dfe8/v18 |
| ef:activity/change/20260821T1302361922970000/337406 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/69ce4beb-b5ae-4f5f-b6c5-b467f5e4dfe8/v18 | ef:flow/69ce4beb-b5ae-4f5f-b6c5-b467f5e4dfe8/v19 |
| ef:activity/change/20260821T1302361922970000/391281 | properties | ef:agent/normalise_property_values | ef:flow/69ce4beb-b5ae-4f5f-b6c5-b467f5e4dfe8/v19 | ef:flow/69ce4beb-b5ae-4f5f-b6c5-b467f5e4dfe8/v20 |
| ef:activity/change/20260821T1302361922970000/399248 | types | ef:agent/link_flows_to_their_substance | ef:flow/69ce4beb-b5ae-4f5f-b6c5-b467f5e4dfe8/v20 | ef:flow/69ce4beb-b5ae-4f5f-b6c5-b467f5e4dfe8/v21 |