Caffeine
Everything that changed this substance, across every flow that resolves to it. Back to the substance
fo-f3bfe295dc2d4b03
Changes
58| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 22,137 | bootstrap_labels | prefLabel | — | [{"@value":"caffeine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"brigh… | Bootstrapped prefLabel from legacy name field |
| 22,138 | bootstrap_labels | name | caffeine | — | Purged legacy name field to enforce prefLabel usage |
| 22,139 | bootstrap_labels | synonyms | ["1,3,7-Trimethyl-2,6-dioxopurine","1,3,7-Trimethyl-3,7-dihydro-1H-purine-2,6-dione","1,3,7-Trimethylpurine-2,6-dione",… | [] | Removed legacy synonyms field in favor of structured labels |
| 24,709 | bootstrap_labels | synonyms | ["caffeine","1,3,7-trimethyl-3,7-dihydro-purine-2,6-dione","1h-purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-","1,3,7-t… | [] | Removed legacy synonyms field in favor of structured labels |
| 81,903 | 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 |
| 81,904 | 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 |
| 104,113 | 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 |
| 104,114 | 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 |
| 112,109 | 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 |
| 112,110 | 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 |
| 120,941 | 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 |
| 120,942 | 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 |
| 143,599 | 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) |
| 143,600 | 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) |
| 147,307 | 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 |
| 147,308 | 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 |
| 150,825 | 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 |
| 150,826 | 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 |
| 152,393 | 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 |
| 152,394 | 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 |
| 160,517 | 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) |
| 160,518 | 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) |
| 161,537 | 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 |
| 161,538 | 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 |
| 168,681 | 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 |
| 168,682 | 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 |
| 170,365 | 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 |
| 170,366 | 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 |
| 188,847 | 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 |
| 188,848 | 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 |
| 220,406 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 226,090 | normalize_name_case | prefLabel | [{"@value":"caffeine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"brigh… | [{"@value":"Caffeine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"brigh… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 247,285 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H10N4O2"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 247,286 | enrich_references | skos_definition | — | [{"@value":"A trimethylxanthine in which the three methyl groups are located at positions 1, 3, and 7. A purine alkaloi… | Merged ChEBI/PubChem definitions into skos:definition |
| 247,287 | enrich_references | references | [] | [{"@id":"drugcentral:463","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"b… | Added references with provenance; cas_numbers=['58-08-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_27732']; candidate_pubchem_cids=[2519, 64119, 71304169]; selected_pubchem_cids=[2519]; 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 |
| 254,122 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H10N4O2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H10N4O2"… | rdkit_pre_consensus from 'CN1C=NC2=C1C(=O)N(C(=O)N2C)C'; added: monoisotopic_mass |
| 257,181 | chebi_altlabels | altLabel | [] | [{"@value":"1,3,7-Trimethylxanthine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | Added 19 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 264,750 | consensus_match | altLabel | [{"@value":"1,3,7-Trimethylxanthine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | [{"@value":"1,3,7-Trimethylxanthine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | group_key=caffeine||dimension=Environmental > media=Water > water_body=Unknown; cas=58-08-2; added Common Chemistry CAS names as altLabel: 1,3,7-Trimethyl-2,3,6,7-tetrahydro-1<em>H</em>-purine-2,6-dione, 1,3,7-Trimethyl-3,7-dihydro-purine-2,6-dione, 1,3,7-Trimethyl-7<em>H</em>-purine-2,6-dione, 1<em>H</em>-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-, 3,7-Dihydro-1,3,7-trimethyl-1<em>H</em>-purine-2,6-dione, Alert-Pep, Asia migrine, Cafalgine, Caffedrine, Caffein, Cafipel, DHCplus, Dasin, Diurex, Durvitan, MeSH ID: D002110, Midron extra, Miudol, NSC 5036, New Cetamol, No-Doz, Palergot-C, Phensal, Refresh'n, Shape Plus, Stay Alert, Stim, Synalgos, Tri-Aqua, Vivarin, Wigraine; object_uuid=fo-f3bfe295dc2d4b03 |
| 264,751 | consensus_match | cas_match_labels | — | {"58-08-2":"exactMatch"} | group_key=caffeine||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'58-08-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f3bfe295dc2d4b03: {'58-08-2': 'exactMatch'} |
| 279,326 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H10N4O2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H10N4O2"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Caffeine' |
| 286,196 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H10N4O2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H10N4O2"… | rdkit_post_consensus from 'Cn1c(=O)c2c(ncn2C)n(C)c1=O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,584 | strip_catalogue_altlabels | altLabel | [{"@value":"1,3,7-Trimethylxanthine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | [{"@value":"1,3,7-Trimethylxanthine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | Removed 1 catalogue altLabel value(s): 'NSC 5036' (registry code) |
| 322,005 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/443b1042-26e2-… | associations resolved on the elementary layer |
| 333,091 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/5b8718c0-0a4b-… | associations resolved on the elementary layer |
| 337,091 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/68a1dd76-d96f-… | associations resolved on the elementary layer |
| 341,505 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/778ca5a5-e6a7-… | associations resolved on the elementary layer |
| 352,838 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/9daae6ac-7638-… | associations resolved on the elementary layer |
| 354,708 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/a3c96d53-570a-… | associations resolved on the elementary layer |
| 356,467 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/a9e4980b-324a-… | associations resolved on the elementary layer |
| 357,252 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/ac66028b-7aff-… | associations resolved on the elementary layer |