Theophylline
Everything that changed this substance, across every flow that resolves to it. Back to the substance
fo-e5e24817eec144e2
Changes
57| # | 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 |
| 46,496 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Surface water"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 46,497 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-suwa | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 79,050 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 79,051 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 83,298 | 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 |
| 83,299 | 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 |
| 97,130 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 97,131 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 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 |
| 127,826 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Ocean"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 127,827 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-ocea | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 131,396 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 131,397 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 139,064 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Ground level","population_density":"Urban (>1000 people/square mil… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 139,065 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 139,900 | 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 |
| 139,901 | 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 |
| 155,812 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 155,813 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-agri | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 163,024 | 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 |
| 163,025 | 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 |
| 165,760 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 165,761 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 199,490 | 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) |
| 199,491 | 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) |
| 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'} |
| 276,923 | 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' |
| 283,571 | 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 |
| 289,837 | 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) |
| 304,273 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/0f7ade7c-e3d0-… | associations resolved on the elementary layer |
| 320,537 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/3f1fa886-cdd2-… | associations resolved on the elementary layer |
| 322,661 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/469c9ad7-ffd0-… | associations resolved on the elementary layer |
| 329,560 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4f5beeb4-542e-… | associations resolved on the elementary layer |
| 337,404 | 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 |
| 344,913 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/834d73d6-ec4c-… | associations resolved on the elementary layer |
| 346,696 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/89609aae-51b6-… | associations resolved on the elementary layer |
| 350,531 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/96487951-7a9e-… | associations resolved on the elementary layer |